⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5015041 | 0.82 | — | — | |
| SCHEMBL2759612 | 0.73 | — | — | |
| SCHEMBL17553796 | 0.68 | PTGS2 (0.36) | — | |
| SCHEMBL9293045 | 0.67 | — | — | |
| SCHEMBL24769808 | 0.66 | MGMT (0.32) | — | |
| SCHEMBL17570452 | 0.66 | TOP2A (0.41) | — | |
| SCHEMBL18169190 | 0.64 | CYP1A2 (0.51) | — | |
| SCHEMBL17769062 | 0.64 | — | — | |
| SCHEMBL24754052 | 0.63 | SLC9A1 (0.42) | — | |
| SCHEMBL18610996 | 0.62 | — | — |
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-0073562-B1 | HERBICIDAL TRIAZOLE UREAS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-11-09 | — | — | EP | disclosed |