⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25633768 | 0.76 | — | — | |
| SCHEMBL14652863 | 0.72 | — | — | |
| SCHEMBL19593842 | 0.72 | — | — | |
| SCHEMBL15048298 | 0.69 | — | — | |
| SCHEMBL9887252 | 0.65 | — | — | |
| SCHEMBL9887335 | 0.65 | — | — | |
| SCHEMBL12554572 | 0.64 | — | — | |
| SCHEMBL9886971 | 0.64 | — | — | |
| SCHEMBL150783 | 0.63 | — | — | |
| SCHEMBL6586464 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2013087631-A2 | OXIDATION DYE COMPOSITION COMPRISING A PARTICULAR COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, AND PROCESSES AND DEVICE SUITABLE THEREFOR | L'OREAL (FR) | 2013-06-20 | — | — | WO | disclosed |