⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194317 | 0.77 | THRB (0.30) | — | |
| SCHEMBL18398447 | 0.74 | — | — | |
| SCHEMBL629892 | 0.72 | — | — | |
| SCHEMBL7644724 | 0.72 | — | — | |
| SCHEMBL13874292 | 0.71 | THRB (0.30) | — | |
| SCHEMBL15784776 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL16050192 | 0.70 | — | — | |
| SCHEMBL17821283 | 0.70 | — | — | |
| Benzene SCHEMBL19952997 | 0.70 | — | — | |
| SCHEMBL18732183 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120094964-A1 | SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS | RAQUALIA PHARMA INC. (JP) | 2012-04-19 | — | — | US | disclosed |
| EP-2424517-A1 | SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS | RaQualia Pharma Inc (JP) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010125831-A1 | SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS | RAQUALIA PHARMA INC. (JP) | 2010-11-04 | — | — | WO | disclosed |