⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13799669 | 0.84 | — | — | |
| SCHEMBL15356220 | 0.83 | CHRM2 (0.30) | — | |
| SCHEMBL13327520 | 0.80 | ACHE (0.31) | — | |
| SCHEMBL13327497 | 0.76 | PHGDH (0.33) | — | |
| SCHEMBL19649010 | 0.75 | PHGDH (0.31) | — | |
| SCHEMBL18774380 | 0.74 | ACHE (0.31) | — | |
| SCHEMBL16281739 | 0.74 | PTGS2 (0.38) | — | |
| SCHEMBL19903955 | 0.74 | ACHE (0.33) | — | |
| SCHEMBL13327499 | 0.74 | ACACB (0.33) | — | |
| SCHEMBL13327512 | 0.72 | FNTA (0.34) | — |
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 |