⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11099398 | 0.80 | — | — | |
| SCHEMBL12341205 | 0.79 | — | — | |
| SCHEMBL11097625 | 0.78 | — | — | |
| SCHEMBL24506780 | 0.77 | — | — | |
| SCHEMBL74042 | 0.77 | — | — | |
| SCHEMBL2891950 | 0.71 | — | — | |
| SCHEMBL2824552 | 0.69 | BCHE (0.36) | — | |
| SCHEMBL8437330 | 0.67 | CNR1 (0.37) | — | |
| SCHEMBL2335314 | 0.67 | — | — | |
| SCHEMBL1934610 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532963-A1 | Composition for straightening the hair comprising at least one imine not being an hydroxide | L'OREAL (FR) | 2005-05-25 | — | — | EP | disclosed |
| EP-1532960-A1 | Hair styling composition containing a non-hydroxide imine | L'OREAL (FR) | 2005-05-25 | — | — | EP | disclosed |