⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21648136 | 1.00 | — | — | |
| SCHEMBL13628806 | 0.84 | — | — | |
| SCHEMBL21652336 | 0.67 | NOS3 (0.35) | — | |
| SCHEMBL21648139 | 0.67 | NOS3 (0.35) | — | |
| SCHEMBL21648141 | 0.67 | NOS3 (0.35) | — | |
| SCHEMBL14781712 | 0.65 | — | — | |
| SCHEMBL20324470 | 0.65 | KMT2A (0.31) | — | |
| SCHEMBL21648090 | 0.65 | POLB (0.33) | — | |
| SCHEMBL21648231 | 0.64 | — | — | |
| SCHEMBL4897279 | 0.64 | — | — |
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 3 patents. 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 |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |