⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3755362 | 0.71 | LSS (0.36) | — | |
| SCHEMBL29743348 | 0.67 | KDM1A (0.34) | — | |
| SCHEMBL10975638 | 0.62 | METAP2 (0.33) | — | |
| SCHEMBL5689907 | 0.61 | — | — | |
| SCHEMBL4623448 | 0.59 | — | — | |
| SCHEMBL1697969 | 0.58 | — | — | |
| SCHEMBL11221232 | 0.58 | LSS (0.40) | — | |
| SCHEMBL8187222 | 0.58 | LSS (0.40) | — | |
| SCHEMBL5689549 | 0.58 | — | — | |
| SCHEMBL28374963 | 0.57 | — | — |
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-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |