⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL850797 | 0.97 | — | — | |
| SCHEMBL7454479 | 0.97 | TSHR (0.56) | — | |
| SCHEMBL14351852 | 0.97 | TSHR (0.56) | — | |
| SCHEMBL11225741 | 0.97 | — | — | |
| SCHEMBL435492 | 0.90 | — | — | |
| Bicarbonate SCHEMBL11778367 | 0.87 | TSHR (0.46) | — | |
| SCHEMBL9827988 | 0.84 | TSHR (0.75) | — | |
| SCHEMBL25030516 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL10532870 | 0.83 | TSHR (0.42) | — | |
| Carbamic Acid SCHEMBL11340733 | 0.83 | TSHR (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 410 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120060221-A | Modification method for improving substrate specificity and catalytic activity of aliphatic nitrilase and modified mutant | 江南大学 | 2025-05-30 | — | — | CN | claimed |
| CN-118949459-A | Rectifying tower kettle and production method of 5-bromo-1-pentene | 宁夏海泰新材料有限公司 | 2024-11-15 | — | — | CN | claimed |
| CN-114213648-B | Hydrolyzable polymer and epoxy resin heat conducting material composition containing same | 安徽壹石通材料科学研究院有限公司 | 2023-06-20 | — | — | CN | claimed |
| CN-112159336-B | Preparation method of high-purity aryne substituted nitrile compound | 上海应用技术大学 | 2022-12-16 | — | — | CN | claimed |
| CN-112595797-B | Method for determining apixaban intermediate through gas chromatography | 江苏嘉逸医药有限公司 | 2022-11-18 | — | — | CN | claimed |
| CN-115141104-A | Environment-friendly organic amine and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-10-04 | — | — | CN | claimed |
| CN-114213648-A | Hydrolyzable polymer and epoxy resin heat conduction material composition containing same | 安徽壹石通材料科学研究院有限公司 | 2022-03-22 | — | — | CN | claimed |
| CN-216009524-U | Buffer tank sealing device for 5-chlorovaleronitrile preparation production line | 唐山晋广化工有限公司 | 2022-03-11 | — | — | CN | claimed |
| CN-112595797-A | Method for determining apixaban intermediate through gas chromatography | 江苏嘉逸医药有限公司 | 2021-04-02 | — | — | CN | claimed |
| CN-111925285-A | Preparation method of 7-phenyl-6-heptynoic acid | 上海北卡医药技术有限公司 | 2020-11-13 | — | — | CN | claimed |
| CN-103804157-A | Method for producing tetraethyl orthocarbonate with coproduction of 5-chlorovaleronitrile | GENCHEM CHANGZHOU CO LTD | 2014-05-21 | — | — | CN | claimed |
| CN-102153459-B | Method for preparing 5-chloro-valeryl chloride and adipoyl chloride simultaneously by one-pot method | GENCHEM CHANGZHOU CO LTD | 2013-04-24 | — | — | CN | claimed |
| CN-202379911-U | 5-chlorovaleryl chloride synthesizer | YUEYANG YETOP FINE CHEMICAL CO LTD | 2012-08-15 | — | — | CN | claimed |
| CN-102516058-A | Device for synthesizing 5-chlorovaleryl chloride | YUEYANG YETOP FINE CHEMICAL CO LTD | 2012-06-27 | — | — | CN | claimed |
| CN-102282149-A | Process for the manufacture of (+)-biotin | — | 2011-12-14 | — | — | CN | claimed |
| CN-102153459-A | Method for preparing 5-chloro-valeryl chloride and adipoyl chloride simultaneously by one-pot method | CHANGZHOU JIEN CHEMICAL CO LTD | 2011-08-17 | — | — | CN | claimed |
| WO-2009049476-A1 | PROCESS FOR THE MANUFACTURE OF (+)-BIOTIN | DSM IP ASSETS B.V. (NL) | 2009-04-23 | — | — | WO | claimed |
| CN-100462360-C | N-cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole synthesis method | SHANGHAI RECORD PHARMACEUTICAL (CN) | 2009-02-18 | — | — | CN | claimed |
| CN-1793129-A | Tech. for synthetic (4-chlorobutyl) 1-cyclohexyl-1,2,3,4-tetrazole | XU JIANQIANG (CN) | 2006-06-28 | — | — | CN | claimed |
| CN-1733743-A | N-cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole synthesis method | SHANGHAI RECORD PHARMACEUTICAL (CN) | 2006-02-15 | — | — | CN | claimed |