⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21242646 | 1.00 | — | — | |
| SCHEMBL27950432 | 0.80 | TP53 (0.39) | — | |
| SCHEMBL15093052 | 0.80 | — | — | |
| SCHEMBL15093054 | 0.80 | — | — | |
| Butane SCHEMBL9042138 | 0.78 | KDM4E (0.54) | — | |
| SCHEMBL112740 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL14110644 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL8330723 | 0.77 | — | — | |
| SCHEMBL29406080 | 0.77 | CA2 (0.48) | — | |
| SCHEMBL20919888 | 0.76 | — | — |
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-0577473-B1 | Reducing cosmetic composition for the permanent deformation of hair based on a mercaptoalkylamino-amide and process for the permanent deformation of hair | OREAL (FR) | 1995-12-20 | — | — | EP | disclosed |
| EP-0577473-A1 | Reducing cosmetic composition for the permanent deformation of hair based on a mercaptoalkylamino-amide and process for the permanent deformation of hair | L'OREAL (FR) | 1994-01-05 | — | — | EP | disclosed |