⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8688665 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL8693371 | 0.84 | GRM4 (0.31) | — | |
| SCHEMBL8691262 | 0.83 | CYP1A2 (0.30) | — | |
| SCHEMBL8690781 | 0.83 | — | — | |
| SCHEMBL8688766 | 0.82 | — | — | |
| SCHEMBL8691661 | 0.82 | — | — | |
| SCHEMBL8691583 | 0.81 | GRM4 (0.31) | — | |
| SCHEMBL8688531 | 0.80 | — | — | |
| SCHEMBL8889899 | 0.80 | — | — | |
| SCHEMBL8688637 | 0.80 | — | — |
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-5753595-A | Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones | FMC CORPORATION (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1997008170-A1 | HERBICIDAL 3-(SUBSTITUTED BENZOXAZOL-7-YL) AND 3-(SUBSTITUTED BENZOTHIAZOL-7-YL)-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)PYRIMIDINEDIONES | FMC CORPORATION (US) | 1997-03-06 | — | — | WO | disclosed |