⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15040881 | 0.83 | — | — | |
| SCHEMBL15040697 | 0.75 | — | — | |
| SCHEMBL15040875 | 0.69 | — | — | |
| SCHEMBL15040833 | 0.66 | — | — | |
| SCHEMBL15040888 | 0.58 | — | — | |
| SCHEMBL18914828 | 0.57 | — | — | |
| SCHEMBL14363114 | 0.54 | TTK (0.30) | — | |
| SCHEMBL12658487 | 0.53 | — | — | |
| SCHEMBL20350279 | 0.52 | — | — | |
| SCHEMBL17104877 | 0.46 | — | — |
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-2013087634-A2 | OXIDATIVE DYEING COMPOSITION COMPRISING A SPECIFIC PERIMIDINE COUPLER IN A MEDIUM WITH HIGH FATTY SUBSTANCE CONTENT, METHODS AND SUITABLE DEVICE | L'OREAL (FR) | 2013-06-20 | — | — | WO | disclosed |