⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14424040 | 0.64 | — | — | |
| SCHEMBL4371910 | 0.63 | — | — | |
| SCHEMBL2821671 | 0.61 | PTPRC (0.31) | — | |
| SCHEMBL3672630 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL1551085 | 0.59 | S100A4 (0.41) | — | |
| SCHEMBL29476468 | 0.59 | CDC25B (0.35) | — | |
| SCHEMBL11213022 | 0.58 | — | — | |
| SCHEMBL29234930 | 0.58 | S100A4 (0.40) | — | |
| SCHEMBL9559365 | 0.57 | GSK3A (0.40) | — | |
| SCHEMBL447698 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509964-B1 | Heterocyclic sulfonamide derivatives | NOVARTIS AG (CH) | 2014-04-30 | — | — | EP | disclosed |
| EP-2509964-A1 | HETEROCYCLIC SULFONAMIDE DERIVATIVES | Novartis AG (CH) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070030-A1 | HETEROCYCLIC SULFONAMIDE DERIVATIVES | NOVARTIS AG (CH) | 2011-06-16 | — | — | WO | disclosed |