⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28172550 | 0.76 | — | — | |
| SCHEMBL5561783 | 0.72 | — | — | |
| SCHEMBL19420082 | 0.72 | — | — | |
| SCHEMBL1325346 | 0.72 | — | — | |
| SCHEMBL4984005 | 0.72 | — | — | |
| SCHEMBL3785553 | 0.72 | — | — | |
| SCHEMBL16098390 | 0.72 | — | — | |
| SCHEMBL28821062 | 0.72 | — | — | |
| SCHEMBL19072517 | 0.69 | — | — | |
| SCHEMBL16327129 | 0.68 | PRSS1 (0.34) | — |
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-2016097394-A1 | BICYCLIC SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2016-06-23 | — | — | WO | disclosed |