⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28052778 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28791219 | 0.98 | TSHR (0.31) | — | |
| SCHEMBL28318201 | 0.95 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL519071 | 0.93 | ALDH1A1 (0.36) | — | |
| SCHEMBL28317188 | 0.91 | ALDH1A1 (0.41) | — | |
| SCHEMBL98342 | 0.89 | — | — | |
| SCHEMBL28318269 | 0.88 | ALDH1A1 (0.43) | — | |
| Bromide SCHEMBL11012723 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL29125446 | 0.87 | GABRA5 (0.36) | — | |
| Bromide SCHEMBL4486395 | 0.87 | GABRA5 (0.36) | — |
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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507184-B | Synthesis method and application of 1-methyl hexahydroazepin-4-one hydrochloride | 好医生药业集团有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-112079739-B | Preparation method of azelastine key intermediate N-methyl hexahydroazepin-4-one hydrochloride | 四川伊诺达博医药科技有限公司 | 2023-06-02 | — | — | CN | claimed |
| CN-104583217-A | Substituted thiophene-fused and furan-fused oxazolopyrimidine-5- (6H) -one compounds | DART NEUROSCIENCE CAYMAN LTD | 2015-04-29 | — | — | CN | claimed |
| CN-101665501-B | Method for preparing talipexole | SHANGHAI HAOYUAN BIO PHARMACEUTICAL TECHNOLOGY CO LTD | 2011-04-20 | — | — | CN | claimed |
| CN-101665501-A | Method for preparing talipexole | SHANGHAI HAOYUAN CHEMEXPRESS B | 2010-03-10 | — | — | CN | claimed |
| CN-114507184-B | Synthesis method and application of 1-methyl hexahydroazepin-4-one hydrochloride | 好医生药业集团有限公司 | 2024-02-13 | — | — | CN | disclosed |
| US-20230331724-A1 | PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2023-10-19 | — | — | US | disclosed |
| US-11731971-B2 | Processes for preparing a diazabicyclooctane compound | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2023-08-22 | — | — | US | disclosed |
| CN-112079739-B | Preparation method of azelastine key intermediate N-methyl hexahydroazepin-4-one hydrochloride | 四川伊诺达博医药科技有限公司 | 2023-06-02 | — | — | CN | disclosed |
| US-20210371419-A1 | PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2021-12-02 | — | — | US | disclosed |
| US-11117896-B2 | Processes for preparing a diazabicyclooctane compound | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2021-09-14 | — | — | US | disclosed |
| US-20200317692-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-10-08 | — | — | US | disclosed |
| EP-1768973-B1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO KG (DE) | 2007-12-05 | — | — | EP | disclosed |
| US-20070254877-A1 | Indole Derivative and Use for Treatment of Cancer | TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-11-01 | — | — | US | disclosed |
| EP-1768973-A1 | SUBSTITUTED QUINOLONES | AiCuris GmbH & Co. KG (DE) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006008046-A1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO. KG (DE) | 2006-01-26 | — | — | WO | disclosed |
| CN-1040873-C | Arylidene-1-azacycloalkanes and arylalkyl-1-azacycloalkanes, their salts, medicaments containing these compounds and .... | THOMAE GMBH DR K (DE) | 1998-11-25 | — | — | CN | disclosed |
| CN-1026588-C | 1-alkyl substituted benzimidazole derivatives, process for preparing same and pharmaceutical composition containing same | JANSSEN PHARMACEUTICA NV (BE) | 1994-11-16 | — | — | CN | disclosed |
| CN-1090849-A | Arylidene-1-azacycloparaffin and aralkyl-1-azacycloparaffin, their salt contains medicament and the application and their preparation process of these compounds | THOMAE GMBH DR K (DE) | 1994-08-17 | — | — | CN | disclosed |
| CN-88101286-A | 1-alkyl substituted benzimidazole derivatives, process for preparing same and pharmaceutical composition containing same | — | 1988-09-28 | — | — | CN | disclosed |