⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8190928 | 0.84 | GRM4 (0.31) | — | |
| SCHEMBL8191210 | 0.80 | BCAT1 (0.43) | — | |
| SCHEMBL8948521 | 0.78 | — | — | |
| SCHEMBL9222926 | 0.77 | PTGES (0.31) | — | |
| SCHEMBL9221588 | 0.76 | — | — | |
| SCHEMBL6794372 | 0.76 | — | — | |
| SCHEMBL8196825 | 0.75 | — | — | |
| SCHEMBL8924168 | 0.75 | MAOA (0.30) | — | |
| SCHEMBL6970318 | 0.74 | GRM4 (0.32) | — | |
| SCHEMBL8300937 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6080702-A | Herbicidal heterocyclic benzisoxazoles and benzisoxazolidinones | FMC CORPORATION (US) | 2000-06-27 | — | — | US | disclosed |