⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1135 | 0.85 | — | — | |
| SCHEMBL14966852 | 0.78 | — | — | |
| SCHEMBL1451 | 0.76 | — | — | |
| SCHEMBL10607958 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL304240 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL303831 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL3636314 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL303701 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL28859665 | 0.73 | — | — | |
| SCHEMBL14966678 | 0.71 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1875091-B | Soap bar composition with reduced soap bar wear properties | COLGATE PALMOLIVE CO | 2013-10-30 | — | — | CN | disclosed |
| CN-1875091-A | Composition with reduced bar wear | COLGATE PALMOLIVE CO (US) | 2006-12-06 | — | — | CN | disclosed |
| WO-1997027746-A1 | WHITEFLY INSECTICIDE | TARGOSZ EUGENE F (US) | 1997-08-07 | — | — | WO | disclosed |