⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13948974 | 0.92 | FUCA1 (0.33) | — | |
| SCHEMBL14838240 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL16748035 | 0.81 | FUCA1 (0.34) | — | |
| SCHEMBL8242207 | 0.76 | FUCA1 (0.34) | — | |
| SCHEMBL18886462 | 0.76 | FUCA1 (0.34) | — | |
| SCHEMBL26879528 | 0.75 | FUCA1 (0.39) | — | |
| SCHEMBL17778138 | 0.73 | FUCA1 (0.42) | — | |
| SCHEMBL9767706 | 0.71 | ADRB2 (0.35) | — | |
| SCHEMBL4537106 | 0.70 | FUCA1 (0.39) | — | |
| SCHEMBL4537105 | 0.70 | FUCA1 (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 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 |