⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7386467 | 0.92 | MAPT (0.61) | — | |
| SCHEMBL6944529 | 0.90 | MAPT (0.65) | — | |
| SCHEMBL9620776 | 0.86 | MAPT (0.73) | — | |
| SCHEMBL9620494 | 0.83 | MAPT (0.77) | — | |
| SCHEMBL9620798 | 0.83 | MAPT (0.77) | — | |
| SCHEMBL9621069 | 0.83 | MAPT (0.77) | — | |
| SCHEMBL6709817 | 0.83 | — | — | |
| SCHEMBL9620682 | 0.83 | MAPT (0.77) | — | |
| Hydrochloric Acid SCHEMBL7410573 | 0.81 | — | — | |
| SCHEMBL27980833 | 0.79 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440625-A | A kind of Difluoronucleosides class antimetabolite anticarcinogen destroying cellular replication | 日照市普达医药科技有限公司 | 2018-08-24 | — | — | CN | claimed |
| US-20120238582-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-09-20 | — | — | US | claimed |
| CN-111712492-B | Cyclotriazoles as LPA antagonists | 百时美施贵宝公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-111039746-B | Method for synthesizing 4, 4-difluorocyclobutene by gas phase catalysis | 中国矿业大学(北京) | 2021-03-23 | — | — | CN | disclosed |
| CN-111712492-A | Cyclohexaneacetic acid triazolazoles as LPA antagonists | 百时美施贵宝公司 | 2020-09-25 | — | — | CN | disclosed |
| CN-111039746-A | Method for synthesizing 4, 4-difluorocyclobutene by gas phase catalysis | 中国矿业大学(北京) | 2020-04-21 | — | — | CN | disclosed |
| CN-106699532-B | A kind of preparation method of 1,1- difluoro Tetrahydronaphthalencompounds compounds | 浙江师范大学 | 2019-09-06 | — | — | CN | disclosed |
| WO-2019000238-A1 | 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |
| CN-108440625-A | A kind of Difluoronucleosides class antimetabolite anticarcinogen destroying cellular replication | 日照市普达医药科技有限公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-107021951-A | SGC stimulators | 铁木医药有限公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-106699532-A | Preparing method of 1,1-difluoro tetrahydronaphthalene compound | 浙江师范大学 | 2017-05-24 | — | — | CN | disclosed |
| US-20150231152-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2015-08-20 | — | — | US | disclosed |
| CN-104755482-A | Functionalized 9-bromo-camptothecin derivatives | NERVIANO MEDICAL SCIENCES SRL | 2015-07-01 | — | — | CN | disclosed |
| CN-102648178-B | Quinazoline derivatives | MERCK PATENT GMBH | 2015-01-07 | — | — | CN | disclosed |
| CN-102007118-B | Pyrrolidinone glucokinase activators | HOFFMANN LA ROCHE | 2014-12-31 | — | — | CN | disclosed |
| CN-101460462-B | Spirocyclic nitriles as protease inhibitors | SANOFI AVENTIS SPA | 2013-07-31 | — | — | CN | disclosed |
| CN-102417480-A | Spirocyclic nitriles as protease inhibitors | SANOFI AVENTIS | 2012-04-18 | — | — | CN | disclosed |
| CN-101460462-A | Spirocyclic nitriles as protease inhibitors | SANOFI AVENTIS (FR) | 2009-06-17 | — | — | CN | disclosed |
| EP-1414792-A1 | FLUORO LINKERS AND THEIR USE AS LINKERS FOR ENZYME-ACTIVATED DRUG CONJUGATES | Pharmacia Italia S.p.A. (IT) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003014069-A1 | FLUORO LINKERS AND THEIR USE AS LINKERS FOR ENZYME-ACTIVATED DRUG CONJUGATES | PHARMACIA ITALIA SPA (IT) | 2003-02-20 | — | — | WO | disclosed |