⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27545369 | 0.80 | CYP1A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL27468730 | 0.79 | CYP1A2 (0.42) | — | |
| SCHEMBL27566036 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL2852278 | 0.76 | CYP1A2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27465334 | 0.76 | CYP1A2 (0.36) | — | |
| SCHEMBL27545570 | 0.76 | CYP1A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL2858088 | 0.76 | CYP1A2 (0.47) | — | |
| SCHEMBL466184 | 0.74 | CYP1A2 (0.43) | — | |
| SCHEMBL27545389 | 0.74 | CYP1A2 (0.35) | — | |
| SCHEMBL27448587 | 0.74 | CYP1A2 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |