⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16707198 | 0.94 | — | — | |
| Orcinol SCHEMBL30001411 | 0.94 | — | — | |
| SCHEMBL28714 | 0.76 | — | — | |
| SCHEMBL11574035 | 0.76 | ALDH1A1 (1.00) | — | |
| SCHEMBL28868049 | 0.73 | ALDH1A1 (0.93) | — | |
| Hydrogen Sulfide SCHEMBL27992697 | 0.73 | ALDH1A1 (0.93) | — | |
| Hydrochloric Acid SCHEMBL7075578 | 0.73 | ALDH1A1 (0.93) | — | |
| SCHEMBL3808139 | 0.73 | ALDH1A1 (0.93) | — | |
| SCHEMBL30017927 | 0.73 | ALDH1A1 (0.93) | — | |
| Hydrochloric Acid SCHEMBL27463860 | 0.73 | ALDH1A1 (0.93) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507190-A | Deuterated 1, 4-benzodiazepine-2, 5-diketone compound and application thereof | 宁波康柏睿格医药科技有限公司 | 2022-05-17 | — | — | CN | disclosed |
| US-9770432-B2 | Deuterated benzopyran compounds and the use in the treatment of pain and inflammation | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2017-09-26 | — | — | US | disclosed |
| US-9763914-B2 | Deuterated benzopyran compounds and application thereof | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2017-09-19 | — | — | US | disclosed |
| US-20170020843-A1 | DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF | INFLAMAX PHARMACEUTICALS LIMITED (CN) | 2017-01-26 | — | — | US | disclosed |
| US-20160287556-A1 | DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF | INFLAMAX PHARMACEUTICALS LIMITED (CN) | 2016-10-06 | — | — | US | disclosed |
| EP-2845854-B1 | DEUTERATED BENZOPYRAN COMPOUND AND APPLICATION THEREOF | GUANGZHOU INST BIOMED & HEALTH (CN) | 2016-09-21 | — | — | EP | disclosed |
| US-9371305-B2 | Deuterated benzopyran compounds and application thereof | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2016-06-21 | — | — | US | disclosed |
| US-20150133538-A1 | Deuterated Benzopyran Compounds and Application Thereof | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2015-05-14 | — | — | US | disclosed |
| EP-2845854-A1 | DEUTERATED BENZOPYRAN COMPOUND AND APPLICATION THEREOF | Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) | 2015-03-11 | — | — | EP | disclosed |
| CN-102757417-B | Deuterated benzopyran compound and application thereof | GUANGZHOU INST BIOMED & HEALTH | 2014-09-24 | — | — | CN | disclosed |
| CN-102757417-A | Deuterated benzopyran compound and application thereof | GUANGZHOU INST BIOMED & HEALTH | 2012-10-31 | — | — | CN | disclosed |
| US-20090270469-A1 | SUBSTITUTED OXAZOLIDINONES | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | US | disclosed |
| US-20090270469-A1 | SUBSTITUTED OXAZOLIDINONES | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | US | disclosed |
| WO-2009132119-A2 | SUBSTITUTED OXAZOLIDINONES | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | WO | disclosed |