⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9845436 | 0.68 | CYP11B1 (0.34) | — | |
| SCHEMBL9845462 | 0.68 | NPC1 (0.38) | — | |
| SCHEMBL9845480 | 0.65 | NR3C2 (0.33) | — | |
| SCHEMBL4102090 | 0.59 | CHRM1 (0.38) | — | |
| SCHEMBL9845452 | 0.58 | MEN1 (0.38) | — | |
| SCHEMBL6530748 | 0.58 | CYP11B2 (0.34) | — | |
| 7-F-D-Diboa SCHEMBL4264755 | 0.56 | CHRM5 (0.43) | — | |
| SCHEMBL4739745 | 0.55 | KDM4E (0.39) | — | |
| SCHEMBL29209037 | 0.55 | PDE3B (0.35) | — | |
| SCHEMBL30336272 | 0.55 | PDE3B (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0406993-A2 | Substituted benzoxazolinone and benzoxazinone derivatives, process for their preparation and their use as agent with herbicide activity | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-01-09 | — | — | EP | disclosed |