⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10885860 | 0.80 | — | — | |
| SCHEMBL1161632 | 0.74 | — | — | |
| SCHEMBL4829066 | 0.74 | — | — | |
| SCHEMBL4721427 | 0.74 | — | — | |
| SCHEMBL399617 | 0.74 | — | — | |
| SCHEMBL25390905 | 0.74 | — | — | |
| SCHEMBL4013189 | 0.74 | CA14 (0.32) | — | |
| Hydrochloric Acid SCHEMBL10885866 | 0.72 | TP53 (0.38) | — | |
| Hydrochloric Acid SCHEMBL3506396 | 0.72 | CA14 (0.31) | — | |
| SCHEMBL4766616 | 0.70 | SMYD3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998028280-A1 | CERTAIN 3-[2,4-DISUBSTITUTED-5-(SUBSTITUTED AMINO)PHENYL]-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)-PYRIMIDINEDIONE DERIVATIVES AS HERBICIDES | FMC CORPORATION (US) | 1998-07-02 | — | — | WO | disclosed |