⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19649354 | 0.92 | CHRM2 (0.31) | — | |
| SCHEMBL18774294 | 0.83 | — | — | |
| SCHEMBL13327485 | 0.79 | CHRM2 (0.39) | — | |
| SCHEMBL13799735 | 0.79 | — | — | |
| SCHEMBL19649238 | 0.78 | — | — | |
| SCHEMBL19649348 | 0.77 | CHRM2 (0.38) | — | |
| SCHEMBL19649072 | 0.77 | — | — | |
| SCHEMBL16281753 | 0.74 | — | — | |
| SCHEMBL13799669 | 0.74 | — | — | |
| SCHEMBL13327507 | 0.73 | CHRM2 (0.38) | — |
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-2070988-A2 | Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye | L'Oréal (FR) | 2009-06-17 | — | — | EP | disclosed |