⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL407085 | 0.81 | CYP19A1 (0.44) | — | |
| SCHEMBL210521 | 0.77 | — | — | |
| SCHEMBL28304083 | 0.77 | — | — | |
| SCHEMBL8342875 | 0.77 | — | — | |
| SCHEMBL28641663 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3124271 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9230735 | 0.75 | CYP19A1 (0.41) | — | |
| Bromide SCHEMBL28863695 | 0.75 | — | — | |
| Water SCHEMBL28716806 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28554648 | 0.73 | CYP19A1 (0.40) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110267949-A | SGC stimulant | 塞科里昂医疗股份有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-110016020-A | Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof | 铁木医药有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-109384778-A | Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder | 铁木医药有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-109369635-A | Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof | 铁木医药有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-108912111-A | compounds and pharmaceutical compositions | 铁木医药有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-105408328-B | sGC stimulators | 铁木医药有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-104936969-B | Mannose derivative for treating bacterium infection | 沃泰克斯药物股份有限公司 | 2018-08-17 | — | — | CN | disclosed |
| CN-108349895-A | Substituted 2- difluoromethyls-nicotine (thio) formailide derivative and its purposes as fungicide | 拜耳作物科学股份公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-105503862-B | Inhibitors of influenza viruses replication | 沃泰克斯药物股份有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-107205390-A | Herbicidal phenylpyridines | 巴斯夫欧洲公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-106455560-A | Use of malononitrile compounds for protecting animals from parasites | 梅里亚股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-102947303-B | Bicyclo-pyridyl pyrazoles | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-12-14 | — | — | CN | disclosed |
| CN-103965147-B | Benzofuran derivatives | 武田药品工业株式会社 | 2016-08-24 | — | — | CN | disclosed |