⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2769721 | 1.00 | — | — | |
| Bromide SCHEMBL2770221 | 0.99 | — | — | |
| Bromide SCHEMBL2770220 | 0.99 | — | — | |
| SCHEMBL2771178 | 0.92 | KDR (0.35) | — | |
| SCHEMBL2771182 | 0.92 | KDR (0.35) | — | |
| Bromide SCHEMBL2770530 | 0.91 | KDR (0.35) | — | |
| Bromide SCHEMBL2769914 | 0.91 | KDR (0.35) | — | |
| SCHEMBL2769093 | 0.86 | CYP19A1 (0.30) | — | |
| SCHEMBL2770237 | 0.86 | KDR (0.35) | — | |
| SCHEMBL2769097 | 0.86 | CYP19A1 (0.30) | — |
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-1825883-B1 | Agents for coloring keratin fibers | PROCTER & GAMBLE (US) | 2010-04-14 | — | — | EP | claimed |