⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9153861 | 0.85 | — | — | |
| SCHEMBL392704 | 0.75 | — | — | |
| SCHEMBL11685754 | 0.75 | — | — | |
| SCHEMBL1596073 | 0.72 | — | — | |
| SCHEMBL8186445 | 0.72 | — | — | |
| SCHEMBL1598236 | 0.72 | — | — | |
| SCHEMBL6872044 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL28357760 | 0.69 | — | — | |
| SCHEMBL22903815 | 0.69 | — | — | |
| SCHEMBL18641298 | 0.69 | — | — |
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-2016014910-A1 | SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF | INNOV17 LLC (US) | 2016-01-28 | — | — | WO | disclosed |