⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9710717 | 0.82 | PPOX (0.43) | — | |
| SCHEMBL9710636 | 0.81 | VCAM1 (0.36) | — | |
| SCHEMBL9711057 | 0.80 | AOC3 (0.34) | — | |
| SCHEMBL9710609 | 0.78 | PPOX (0.50) | — | |
| SCHEMBL9710645 | 0.78 | PPOX (0.30) | — | |
| SCHEMBL9710601 | 0.72 | BCAT1 (0.32) | — | |
| SCHEMBL9710763 | 0.69 | GSK3A (0.36) | — | |
| SCHEMBL5970664 | 0.68 | PPOX (0.52) | — | |
| SCHEMBL9710651 | 0.68 | PPOX (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL5970603 | 0.68 | PPOX (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992021662-A1 | POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES | DOWELANCO (US) | 1992-12-10 | — | — | WO | disclosed |
| US-5153316-A | Post and preemergence herbicides | DOWELANCO | 1992-10-06 | — | — | US | disclosed |