⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8699060 | 0.78 | PKM (0.31) | — | |
| SCHEMBL8700651 | 0.77 | — | — | |
| SCHEMBL3989018 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL4019745 | 0.71 | PHF8 (0.39) | — | |
| SCHEMBL30462442 | 0.71 | MEN1 (0.37) | — | |
| SCHEMBL6167668 | 0.69 | — | — | |
| SCHEMBL1445561 | 0.69 | — | — | |
| SCHEMBL26558 | 0.69 | — | — | |
| SCHEMBL24703880 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL22205611 | 0.67 | LMNA (0.44) | — |
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 |