⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1872794 | 0.92 | MAPK14 (0.34) | — | |
| SCHEMBL1871027 | 0.91 | BRAF (0.31) | — | |
| SCHEMBL1877503 | 0.85 | BRAF (0.41) | — | |
| SCHEMBL1870906 | 0.83 | BRAF (0.30) | — | |
| SCHEMBL1871231 | 0.82 | MAPK14 (0.35) | — | |
| SCHEMBL12670313 | 0.80 | BRAF (0.41) | — | |
| SCHEMBL1876861 | 0.79 | ALOX5AP (0.33) | — | |
| SCHEMBL1871922 | 0.78 | BRAF (0.37) | — | |
| SCHEMBL12669162 | 0.77 | BRAF (0.47) | — | |
| SCHEMBL1871101 | 0.77 | BRAF (0.40) | — |
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-2498608-A1 | BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS | GlaxoSmithKline LLC (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011059610-A1 | BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-05-19 | — | — | WO | disclosed |