⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9222926 | 0.82 | PTGES (0.31) | — | |
| SCHEMBL8948507 | 0.82 | PTGES (0.35) | — | |
| SCHEMBL8948528 | 0.82 | — | — | |
| SCHEMBL8948538 | 0.82 | PDE4A (0.31) | — | |
| SCHEMBL8948501 | 0.80 | LMNA (0.34) | — | |
| SCHEMBL9221588 | 0.79 | — | — | |
| SCHEMBL6844291 | 0.78 | PDE4A (0.31) | — | |
| SCHEMBL8924168 | 0.78 | MAOA (0.30) | — | |
| SCHEMBL8948510 | 0.78 | — | — | |
| SCHEMBL6970318 | 0.77 | GRM4 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080702-A | Herbicidal heterocyclic benzisoxazoles and benzisoxazolidinones | FMC CORPORATION (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0853620-A1 | HERBICIDAL HETEROCYCLIC BENZISOXAZOLES AND BENZISOXAZOLIDINONES | FMC CORPORATION (US) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997012886-A1 | HERBICIDAL HETEROCYCLIC BENZISOXAZOLES AND BENZISOXAZOLIDINONES | FMC CORPORATION (US) | 1997-04-10 | — | — | WO | disclosed |