⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25296087 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL16154674 | 0.82 | — | — | |
| SCHEMBL17061383 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL190199 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL3659091 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL12590808 | 0.77 | — | — | |
| SCHEMBL5154266 | 0.74 | — | — | |
| SCHEMBL28929168 | 0.73 | ALDH1A1 (0.31) | — | |
| Potassium SCHEMBL30153826 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL3028472 | 0.72 | FDPS (0.32) | — |
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-1148863-B2 | DETERGENT COSMETIC COMPOSITIONS AND USE | OREAL (FR) | 2012-02-22 | — | — | EP | disclosed |
| EP-1148863-B1 | DETERGENT COSMETIC COMPOSITIONS AND USE | OREAL (FR) | 2002-06-26 | — | — | EP | disclosed |