⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20077525 | 0.79 | LMNA (0.32) | — | |
| SCHEMBL16028488 | 0.74 | CYP2C19 (0.49) | — | |
| SCHEMBL12329471 | 0.73 | CYP2C19 (0.51) | — | |
| SCHEMBL16076177 | 0.71 | CYP2C19 (0.44) | — | |
| SCHEMBL7296150 | 0.69 | CYP2C19 (0.37) | — | |
| SCHEMBL27370503 | 0.69 | DRD2 (0.33) | — | |
| SCHEMBL23037193 | 0.67 | CYP2C19 (0.34) | — | |
| SCHEMBL20077599 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL7303638 | 0.64 | LMNA (0.32) | — | |
| SCHEMBL16169952 | 0.63 | LMNA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018071620-A1 | HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-19 | — | — | WO | disclosed |