⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3991015 | 0.79 | MAPT (0.37) | — | |
| SCHEMBL5548596 | 0.75 | CHRM5 (0.38) | — | |
| SCHEMBL3995451 | 0.74 | DRD1 (0.36) | — | |
| SCHEMBL6155275 | 0.74 | MAPT (0.50) | — | |
| SCHEMBL8121468 | 0.72 | MAPT (0.52) | — | |
| SCHEMBL2752320 | 0.70 | FFAR4 (0.33) | — | |
| SCHEMBL8121568 | 0.70 | LMNA (0.34) | — | |
| SCHEMBL8111372 | 0.69 | MMP13 (0.37) | — | |
| SCHEMBL8126331 | 0.69 | KDM4E (0.46) | — | |
| SCHEMBL1451793 | 0.69 | LTA4H (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1028959-A1 | HERBICIDAL FURANYL- AND THIENYLOXYAZINES | AMERICAN CYANAMID COMPANY (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024427-A1 | HERBICIDAL FURANYL- AND THIENYLOXYAZINES | AMERICAN CYANAMID COMPANY (US) | 1999-05-20 | — | — | WO | disclosed |