⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20122626 | 0.83 | HMGCR (0.31) | — | |
| SCHEMBL10220453 | 0.79 | CYP3A4 (0.35) | — | |
| SCHEMBL16454360 | 0.76 | AAK1 (0.31) | — | |
| SCHEMBL9970897 | 0.74 | — | — | |
| SCHEMBL18699160 | 0.71 | CYP3A4 (0.31) | — | |
| SCHEMBL278866 | 0.71 | CA2 (0.37) | — | |
| SCHEMBL17808311 | 0.69 | CYP19A1 (0.32) | — | |
| SCHEMBL17816266 | 0.69 | KMO (0.39) | — | |
| SCHEMBL11960338 | 0.64 | CYP3A4 (0.33) | — | |
| SCHEMBL17816269 | 0.63 | CA2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9963445-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2018-05-08 | — | — | US | disclosed |
| US-20160159781-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |