⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21648203 | 1.00 | — | — | |
| SCHEMBL21652341 | 1.00 | — | — | |
| SCHEMBL17509730 | 0.66 | — | — | |
| SCHEMBL13628802 | 0.59 | — | — | |
| SCHEMBL17499947 | 0.59 | — | — | |
| SCHEMBL21648217 | 0.59 | — | — | |
| SCHEMBL21648208 | 0.59 | — | — | |
| SCHEMBL18657020 | 0.59 | — | — | |
| SCHEMBL5173977 | 0.58 | — | — | |
| SCHEMBL826083 | 0.58 | — | — |
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-20200030215-A1 | AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION | L'OREAL (FR) | 2020-01-30 | — | — | US | disclosed |