⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8244468 | 0.75 | RAPGEF4 (0.33) | — | |
| SCHEMBL23010750 | 0.72 | RAPGEF4 (0.36) | — | |
| SCHEMBL23010333 | 0.69 | NFE2L2 (0.31) | — | |
| SCHEMBL1830038 | 0.69 | RAPGEF4 (0.34) | — | |
| SCHEMBL12121733 | 0.69 | RAPGEF4 (0.35) | — | |
| SCHEMBL18680691 | 0.68 | CA3 (0.39) | — | |
| SCHEMBL17466062 | 0.66 | AGTR1 (0.32) | — | |
| SCHEMBL22587947 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL30018244 | 0.66 | AGTR1 (0.32) | — | |
| SCHEMBL20095922 | 0.64 | ALDH1A1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4013495-B1 | ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2023-09-27 | — | — | EP | disclosed |
| WO-2021028512-A1 | ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-02-18 | — | — | WO | disclosed |