⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9312620 | 0.59 | — | — | |
| SCHEMBL21610508 | 0.52 | KDM4E (0.34) | — | |
| SCHEMBL2114337 | 0.51 | — | — | |
| SCHEMBL5086639 | 0.49 | — | — | |
| SCHEMBL12639194 | 0.47 | — | — | |
| SCHEMBL958475 | 0.46 | — | — | |
| SCHEMBL2180034 | 0.46 | — | — | |
| SCHEMBL18560362 | 0.44 | — | — | |
| SCHEMBL10772694 | 0.44 | — | — | |
| SCHEMBL15045805 | 0.43 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| US-5376677-A | Fungicides | CIBA-GEIGY CORPORATION (US) | 1994-12-27 | — | — | US | disclosed |