⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28503202 | 0.71 | CYP2A6 (0.39) | — | |
| SCHEMBL1135190 | 0.70 | — | — | |
| SCHEMBL28511970 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL7498711 | 0.67 | MAP4K4 (0.40) | — | |
| SCHEMBL2040724 | 0.66 | PIK3CA (0.38) | — | |
| SCHEMBL28822926 | 0.65 | MAPK1 (0.33) | — | |
| SCHEMBL5646654 | 0.65 | RAB9A (0.46) | — | |
| SCHEMBL7366331 | 0.65 | KMT2A (0.43) | — | |
| SCHEMBL4926869 | 0.65 | KDM4E (0.45) | — | |
| SCHEMBL9667207 | 0.63 | ALDH1A1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112243374-A | SREBP inhibitors comprising a 6-membered central ring | 卡普勒斯疗法有限责任公司 | 2021-01-19 | — | — | CN | disclosed |