⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21648113 | 0.73 | — | — | |
| SCHEMBL21652334 | 0.71 | — | — | |
| SCHEMBL21648184 | 0.69 | — | — | |
| SCHEMBL21652339 | 0.67 | — | — | |
| SCHEMBL21648084 | 0.66 | — | — | |
| SCHEMBL21648112 | 0.60 | — | — | |
| Thiopalmyrone SCHEMBL21648179 | 0.60 | CYP3A4 (0.33) | — | |
| Thiopalmyrone SCHEMBL21648178 | 0.60 | CYP3A4 (0.33) | — | |
| SCHEMBL21652333 | 0.57 | ACHE (0.31) | — | |
| SCHEMBL21648137 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200031796-A1 | COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION | L'OREAL (FR) | 2020-01-30 | — | — | US | disclosed |