⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL770898 | 0.69 | POLB (0.44) | — | |
| SCHEMBL134132 | 0.69 | — | — | |
| SCHEMBL20273158 | 0.67 | — | — | |
| SCHEMBL788030 | 0.65 | — | — | |
| SCHEMBL1205368 | 0.65 | — | — | |
| SCHEMBL20793009 | 0.65 | — | — | |
| SCHEMBL21737602 | 0.65 | — | — | |
| SCHEMBL5541720 | 0.65 | — | — | |
| SCHEMBL257445 | 0.65 | — | — | |
| Bromide SCHEMBL2195149 | 0.63 | — | — |
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-1720615-B1 | COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF | PROCTER & GAMBLE (US) | 2009-12-30 | — | — | EP | disclosed |