⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6327737 | 0.78 | — | — | |
| SCHEMBL3034850 | 0.76 | — | — | |
| SCHEMBL15448398 | 0.76 | HSD17B10 (0.33) | — | |
| SCHEMBL401664 | 0.74 | — | — | |
| SCHEMBL28635414 | 0.74 | — | — | |
| SCHEMBL26280819 | 0.72 | HSD17B10 (0.31) | — | |
| SCHEMBL5952834 | 0.72 | — | — | |
| SCHEMBL22165460 | 0.72 | — | — | |
| SCHEMBL5952826 | 0.72 | — | — | |
| SCHEMBL8729836 | 0.71 | HSD17B10 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3757093-A1 | DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2020-12-30 | — | — | EP | disclosed |
| US-5211739-A | Herbicidal-1-(disubstituted carbamoyl or thiocarbamoyl)-1,2,4-triazol-3-yl sulfonates and thisulfonates | ROHM AND HAAS COMPANY (US) | 1993-05-18 | — | — | US | disclosed |