https://eureka.patsnap.com/resources/blog/rd-blog/molecular-docking-simulation-screening-algorithm-patent-landscape/ · Patsnap · data cut-off 2026-10-27 · downloaded from the live page
Patent Landscape · Biopharma & Drug Discovery

Molecular Docking Simulation Screening Algorithm Patents

116 patent families on molecular docking and virtual screening algorithms, with filers, IPC split and filing activity through 2026.

190
Published Records
116
Simple Patent Families
3%
Families Naming the Largest Filer
19%
In Force at Cut-off

190 published records collapse into 116 simple (DOCDB) families; the difference is the same invention filed in more than one country. CENTURION UNIV OF TECH & MANAGEMENT CUTM is named on 4 of the 116 patent families in scope. One patent family can name several filers, so these figures are not slices of a divided whole and do not add up. In force = 37 of 190 records still granted and maintained at the data cut-off; the rest are pending, withdrawn, refused or lapsed.

  • 116 simple patent families and 190 published records sit behind this search with no two filers reaching more than 4 families each.
  • Two filers, Centurion Univ of Tech & Management CUTM and Vellore Institute of Tech, share the top count both on 4 of the 116 simple patent families.
  • Bioinformatics classification G16B appears on the highest share of families 54.3% of the 116 simple patent families carry a G16B classification.
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Published byPatsnap Research··6 min readSourced from Patsnap Eureka
Overview

What this search covers

This landscape is built from the search string ("molecular docking" OR "virtual screening") AND (simulation OR binding) AND algorithm) applied across patent titles, abstracts and claims. It returns 190 published records, which de-duplicate to 116 simple patent families once filings for the same invention across different countries are collapsed into one. The search carries no date limit, so the scope is every matching record the database holds, not a fixed year window.

Filing activity is shown in a separate trend chart covering a recent window only; that chart is not the full scope of the search and should be read alongside, not instead of, the family and record totals above.

Records vs. families in scope
  1. CENTURION UNIV OF TECH & MANAGEMENT CUTM4
  2. VELLORE INSITUTE OF TECH4
  3. ZHEJIANG LAB2
  4. SHANGHAI JIAOTONG UNIV2
  5. Hefei Weiguan Jiyuan Digital Technology Co., Ltd.2
  6. CHONGQING MEDICAL UNIVERSITY2
  7. BEIJING QBOSON QUANTUM TECH CO LTD2
  8. SHENZHEN UNIV2
  9. SOUTHWEST MEDICAL UNIV2
  10. CHINA UNIV OF PETROLEUM (EAST CHINA)2

Counted over all 190 published records, including filings from before 2007; the filing-trend chart below covers only the 161 records from 2007 onward, so the two charts are not the same set of documents. Ordered by volume only, not by importance or claim strength. Counted in simple (DOCDB) patent families, so one invention filed in several countries counts once. Names come from Patsnap's standardised assignee field as recorded on each document; subsidiaries and group companies are not merged. The icon before each name is read from the name itself (words such as University, Institute or Ltd); the data carries no organisation-type field, so treat it as a reading aid rather than a classification. Filings held by named individuals rather than organisations are removed where they can be identified (27 here); that identification is not exhaustive, so an individually held filing can still appear below. Either way those filings stay inside the totals above. This table shows the top 30 of the 73 filers returned for this search; the data endpoint returns at most 100 entities, so even that 73 is not the complete set of filers. A single family can name more than one filer, so these counts overlap and do not add up to the total.

Source: Patsnap Eureka. Assignee ranking and totals. Derived from one Patsnap search for Molecular Docking Simulation Screening Algorithm Patent Landscape, covering all matching records regardless of filing date (the search string sets no date limit), retrieved 2026-10-27. Counts cover published records only and move as new filings publish.Run this in Eureka MCP

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The Numbers

Filing activity and technology composition

Three views of the same 116 families: who files, what technology classes they fall under, and when the underlying records were filed.

Filing trend by earliest filing year (published records) (161 of 190 published records)

Records filed from 2007 (8 records) through a peak so far of 31 in 2025 and 22 in 2026. The 2022-onward stretch is shaded because publication lag means recent filing years are still filling in; this should not be read as a fall-off in activity.

Filing trend by earliest filing year (published records) (161 of 190 published records)0102030408200720092011201320152017201920212023312025222022 onwards are shaded as still filling in: a filing is only visible once it publishes, up to 30 months after filing.

Counted in published records by earliest filing year, not de-duplicated into families. A filing is counted in the year it was filed, but it only becomes visible after it publishes: roughly 18 months for most routes, and up to 30 months where a PCT application enters national phase. 2022 onwards are therefore still filling in and are shaded; no growth figure on this page uses them. Because this series counts documents rather than inventions, a rise can mean more inventions or the same inventions filed in more countries; this dataset cannot separate the two. This chart covers 2007-2026 (161 records); the 190 total quoted above includes earlier filings outside the window.

IPC subclass composition (share of 116 simple patent families)

G16B (Bioinformatics) appears on 54.3% of the 116 families, the highest share of any subclass, followed by G16C (Computational chemistry) at 42.2%. G06F (Electric digital data processing) and G06N (Computing based on AI models) each appear on roughly a fifth of families, and A61K (Medicinal preparations) on 15.5%. Because a family can carry several IPC classes, these shares add up to more than 100% and should not be summed.

IPC subclass composition (share of 116 simple patent families)G16B · Bioinformatics6354.3%G16C · Computational chemistry4942.2%G06F · Electric digital data processi…2521.6%G06N · Computing based on AI models2420.7%A61K · Medicinal preparations1815.5%G01N · Material analysis & testing1613.8%C12N · Microorganisms & genetic engin…119.5%C07K · Peptides & proteins108.6%Other5547.4%

Shares are the percentage of the 116 patent families in scope. One patent family can carry several IPC classes, so the shares add up to more than 100%.

Source: Patsnap Eureka. Filing trend and technology composition. Derived from one Patsnap search for Molecular Docking Simulation Screening Algorithm Patent Landscape, covering all matching records regardless of filing date (the search string sets no date limit), retrieved 2026-10-27. Counts cover published records only and move as new filings publish.

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Sample Record

A record from the result set

First record returned, database default order
US20220130487A12022-04-28

Drug virtual screening system for crystal complexes, and method of using the same

SHENZHEN JINGTAI TECHNOLOGY CO., LTD.

The abstract describes a drug virtual screening system for crystal complexes built from a visualization subsystem, an evaluation tool box subsystem, an AI model management subsystem, a large-scale sampling subsystem, a virtual screening subsystem and a data log storage subsystem. Starting from known crystal complexes, the system is described as recommending a batch of candidate compounds that meet specified requirements after passing through these subsystems in turn.US20220130487A1, filed by Shenzhen Jingtai Technology Co., Ltd., published 2022-04-28. Shown because it is the first record the search returns under the database's default order, not because it is the most cited, newest or broadest filing in scope.

US20220130487A1, patent drawing 1US20220130487A1, patent drawing 2
View full record

Selected as the first record the search returns under the database default order, then shown in full. It is not ranked by citations, claim breadth or commercial importance, and it is not a judgement about which filing in this space matters most.

Source: Patsnap Eureka. The first record the search returned, shown in full. Derived from one Patsnap search for Molecular Docking Simulation Screening Algorithm Patent Landscape, covering all matching records regardless of filing date (the search string sets no date limit), retrieved 2026-10-27. Counts cover published records only and move as new filings publish.Run this in Eureka MCP
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Patterns In The Data

What the filer and classification data show

These figures describe the 116 families and the 73 listed filers returned by this search. They report counts, not claim scope or company strategy.

Joint top filer count
4 families
shared top count

Two filers tie at 4 families each

Centurion Univ of Tech & Management CUTM and Vellore Institute of Tech are each named on 4 of the 116 simple patent families, the highest count in this list. No single filer holds more than these two.

Counted in simple patent families
Long tail
71 of 73
filers at 2 or fewer families

Most listed filers hold 1-2 families

Of the 73 listed filers, 71 are named on 2 or fewer simple patent families each. The remaining 2 filers hold 4 families each, the top count described above.

Counted in simple patent families; individuals excluded from this list where they can be identified but included in dataset totals
Legal status
37 of 190
records granted and in force

19% of records are granted and in force at retrieval

37 of the 190 published records were granted and still in force as of the 2026-10-27 retrieval date. The remaining records cover other statuses not broken out individually here, and this figure describes legal status at one point in time, not a success rate.

Counted in published records, status at retrieval
Classification spread
54.3%
of families carry G16B

G16B carries the highest IPC share

G16B (Bioinformatics) appears on 54.3% of the 116 simple patent families, ahead of G16C (Computational chemistry) at 42.2%. A family can carry more than one IPC class, so these two figures are not mutually exclusive and cannot be added together.

Share of 116 simple patent families in scope
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Source: Patsnap Eureka. Derived observations on the same dataset. Derived from one Patsnap search for Molecular Docking Simulation Screening Algorithm Patent Landscape, covering all matching records regardless of filing date (the search string sets no date limit), retrieved 2026-10-27. Counts cover published records only and move as new filings publish.Run this in Eureka MCP
Next Steps

Where to take this analysis

The figures here describe what this search returned. Deeper questions about claim scope, specific filers or adjacent technology need a closer read of the underlying documents.

Read the granted claims directly

Family and IPC counts cannot establish what any single patent covers. Pull the granted claim set for any record of interest before drawing conclusions about scope.

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Track new filings as they publish

Recent filing years in this dataset are still filling in because of publication lag. Set up monitoring to catch records as they clear that lag rather than reading the latest years as final.

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Source: Patsnap Eureka. Suggested next steps. No new data: every figure named here is one of those above. Derived from one Patsnap search for Molecular Docking Simulation Screening Algorithm Patent Landscape, covering all matching records regardless of filing date (the search string sets no date limit), retrieved 2026-10-27. Counts cover published records only and move as new filings publish.Run this in Eureka MCP
FAQ

Common questions about this landscape

Answers are grounded in the same dataset. Derived from one Patsnap search for Molecular Docking Simulation Screening Algorithm Patent Landscape, covering all matching records regardless of filing date (the search string sets no date limit), retrieved 2026-10-27. Counts cover published records only and move as new filings publish.Run this in Eureka MCP

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How this page was built, and what the numbers do and do not mean

Search. Every figure on this page comes from one Patsnap search, run once and not edited afterwards. This is the exact search string:

TAC:(("molecular docking" OR "virtual screening") AND (simulation OR binding) AND algorithm)

Reading the field codes: TAC searches the title, abstract and claims of each record, not the full description. The search string sets no date limit, so the scope is every matching record in the database regardless of when it was filed. It is not restricted to recent years. How this string was built matters for how far the counts can be pushed. It was generated in batch from a topic list rather than hand-crafted for this page, and the result set is not manually screened. A keyword search over title, abstract and claims both over-captures (unrelated filings that happen to use the same words) and under-captures (the same invention written in different words). This page cannot measure either effect, so read every figure here as what this particular string returned, not as what exists in the field.

What is being counted. Two different units appear on this page and they are not interchangeable. The filer list and the technology split are counted in simple (DOCDB) patent families: one invention counts once however many countries it was filed in. The total, the jurisdiction split and the filing-year chart are counted in published records: the same invention counts once per publication. For this search that is 190 records and 116 families. Record counts reward filing in many jurisdictions; family counts do not. Shares are only ever taken against a denominator in the same unit, and each one names it.

Who the filers are. Names come from Patsnap's standardised assignee field, as recorded on the documents themselves. They are not rolled up to corporate group: a parent and its subsidiaries appear as separate entries, and a portfolio acquired from another company stays under the name on the document unless the assignment is reflected there. This list is meant to carry organisations, not people. Filings held by a named individual are identified by matching the assignee against the inventors on the same search, and, for names written in Chinese, Japanese or Korean characters, by the name carrying no organisational suffix; those are removed from the list (27 of them here). Neither test is exhaustive: the inventor list it matches against is itself capped, and a personal name written in Latin script with no organisational wording in it cannot be told apart from a short company name by rule. So an individually held filing can still appear in the list. Those filings stay inside every total and share on this page either way, so the listed entries can add up to less than the total. A record shown in full further down still names its assignee exactly as the patent office records it, including where that is a person: that name is how the record is identified and checked. What is left out of the ranking is people as ranked entries, not people as cited sources. The table shows the top 30 of the 73 filers returned, ordered by count alone; the data endpoint returns at most 100 entities, so even that 73 is not every filer. One patent family can name several filers and each is counted separately, so these rows are not slices of a divided whole: adding them together over-counts, and this page deliberately publishes no combined "top five" share for that reason. See every filer, individuals included

Dates. The year chart counts by earliest filing year, not publication year. A filing only becomes visible once it publishes: roughly 18 months for most routes, and up to 30 months where a PCT application enters national phase. Measured across these pages, the year four back from today still holds only about 89% of its eventual count. 2022 onwards are therefore shaded on the chart as still filling in. The data behind this page was retrieved on 2026-10-27.

Legal status. "In force" counts documents whose legal status at retrieval was granted and maintained (37 of 190). Everything else is pending, withdrawn, refused, lapsed or not determinable, and those states are not broken out here because the underlying codes do not separate them cleanly. Legal status changes continuously and is reported per document, not per family. Get the status breakdown in Eureka

Classification. The technology split uses IPC subclasses (four characters, for example H01M). A single record usually carries several, so the shares add up to more than 100% and a record can appear in more than one bar. Subclass is a coarse grouping; it describes the field a record was classified into, not what the claims cover. Break the classes down to subgroup level

Who wrote the words. The tables, charts, counts, shares and patent numbers on this page are produced directly from the search result by a program; none of them are written or estimated by a language model. The surrounding prose, headings, FAQ answers and the answers in the question panel are drafted by a language model that is given those same figures and is not permitted to introduce others. Prose can still mis-describe a correct figure, so where the two disagree, the tables and charts are the record.

Disclaimer. This page is generated from Patsnap Eureka data drawn from a limited snapshot of global patent and scientific-literature records, and is provided for general information and reference only.

Patent data carries limitations that apply to every figure above. Recent filings are under-counted, because an application is not public until roughly 18 months after filing and database loading adds further delay. The search string defines and constrains everything shown: records that use different terminology, or that sit outside the fields searched, are absent and cannot be counted. Applicant names, classification codes, legal-status codes and citation records are taken as recorded and may contain errors, duplicates, omissions or stale entries. Ordering by volume is not a measure of quality, scope, enforceability or commercial value, and a larger portfolio is not a stronger one. As a result, the analysis may be incomplete or inaccurate and may not reflect the full technology landscape.

Nothing on this page constitutes an exhaustive prior-art, novelty, freedom-to-operate, validity or infringement search, nor does it constitute legal, financial, investment, or professional advice, and it should not be relied upon as such. No attorney-client relationship is created by it. Any patent, commercial, or strategic decision should be verified independently against the primary records and reviewed with qualified patent, legal, and domain professionals. Patsnap makes no warranties, express or implied, as to the accuracy, completeness, or fitness for any particular purpose of the information presented.

The question panel. The answers behind the suggested questions on this page were written when the page was generated, not in response to your click. The progress steps that play before an answer appears are an animation of how that analysis was done; nothing is being searched or computed at that moment. Typing your own question instead opens Patsnap Eureka, which does run it live.

Machine translation. Assignee and organisation names originally recorded in Chinese, Japanese or Korean have been rendered into English by an AI translation step so that the tables stay readable. These renderings are best-effort and may not match a company's registered English name; the original name is what the underlying patent record carries, and it is what any Eureka query launched from this page uses.

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