⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL433019 | 0.77 | CYP3A4 (0.42) | — | |
| SCHEMBL2158571 | 0.76 | SLC6A4 (0.36) | — | |
| SCHEMBL8474445 | 0.75 | — | — | |
| SCHEMBL18765144 | 0.75 | GAA (0.43) | — | |
| SCHEMBL1886180 | 0.75 | PSMB8 (0.41) | — | |
| SCHEMBL811368 | 0.71 | NOS1 (0.38) | — | |
| SCHEMBL558260 | 0.71 | PARP1 (0.34) | — | |
| SCHEMBL407499 | 0.71 | PSMD14 (0.36) | — | |
| SCHEMBL3226179 | 0.69 | KDR (0.35) | — | |
| SCHEMBL30002011 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6610641-B2 | Transition metal complex | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1259588-A2 | COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2002-11-27 | — | — | EP | disclosed |
| US-20020010120-A1 | Composition and method for bleaching a substrate | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2002-01-24 | — | — | US | disclosed |
| WO-2001064826-A2 | COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2001-09-07 | — | — | WO | disclosed |