⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16408272 | 0.96 | — | — | |
| SCHEMBL16408280 | 0.90 | — | — | |
| SCHEMBL16408303 | 0.87 | — | — | |
| SCHEMBL16408274 | 0.85 | — | — | |
| SCHEMBL16398130 | 0.84 | — | — | |
| SCHEMBL30535900 | 0.84 | — | — | |
| SCHEMBL17791066 | 0.84 | — | — | |
| SCHEMBL16408278 | 0.83 | — | — | |
| SCHEMBL17791071 | 0.83 | — | — | |
| SCHEMBL16398560 | 0.83 | — | — |
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-3022175-A1 | SULFONAMIDES AS MODULATORS OF SODIUM CHANNELS | Vertex Pharmaceuticals Inc. (US) | 2016-05-25 | — | — | EP | disclosed |
| WO-2015010065-A1 | SULFONAMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-22 | — | — | WO | disclosed |