⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL476613 | 0.67 | — | — | |
| SCHEMBL13749424 | 0.64 | — | — | |
| SCHEMBL6206429 | 0.53 | — | — | |
| SCHEMBL10999254 | 0.52 | — | — | |
| SCHEMBL10368155 | 0.50 | — | — | |
| SCHEMBL37684 | 0.50 | — | — | |
| SCHEMBL1537105 | 0.48 | — | — | |
| SCHEMBL13527427 | 0.48 | ALDH1A1 (0.38) | — | |
| SCHEMBL130780 | 0.48 | — | — | |
| SCHEMBL18632541 | 0.48 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991010668-A1 | HERBICIDAL SULFONYLUREAS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-07-25 | — | — | WO | disclosed |
| US-3978079-A | DIPHTHALIMIDO, DISUCCINIMIDO AND DIMALEIMIDO OXALATES | AMERICAN CYANAMID COMPANY (US) | 1976-08-31 | — | — | US | disclosed |
| US-3970660-A | BIS(1,2-DIHYDRO-2-OXO-1-PYRIDYL) GLYOXAL | AMERICAN CYANAMID COMPANY (US) | 1976-07-20 | — | — | US | disclosed |