⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19178025 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL7020215 | 0.74 | CYP2C19 (0.33) | — | |
| SCHEMBL29157282 | 0.71 | PPARA (0.41) | — | |
| SCHEMBL7025263 | 0.70 | EGFR (0.34) | — | |
| SCHEMBL29157280 | 0.68 | ELANE (0.36) | — | |
| SCHEMBL29157276 | 0.68 | ELANE (0.36) | — | |
| SCHEMBL19267399 | 0.67 | MAPK1 (0.34) | — | |
| SCHEMBL7654732 | 0.67 | PTPRC (0.30) | — | |
| SCHEMBL12482897 | 0.66 | KMT2A (0.36) | — | |
| SCHEMBL128042 | 0.64 | KMT2A (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 |
|---|---|---|---|---|---|---|---|
| EP-2091527-B1 | SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF | UNIV TEMPLE (US) | 2016-03-23 | — | — | EP | disclosed |