⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15933510 | 0.92 | — | — | |
| SCHEMBL15933731 | 0.90 | P4HTM (0.52) | — | |
| SCHEMBL15933723 | 0.89 | P4HTM (0.57) | — | |
| SCHEMBL15933727 | 0.89 | P4HTM (0.52) | — | |
| SCHEMBL15933729 | 0.88 | — | — | |
| SCHEMBL15933721 | 0.88 | P4HTM (0.54) | — | |
| SCHEMBL15933730 | 0.86 | — | — | |
| SCHEMBL15933728 | 0.85 | — | — | |
| SCHEMBL15917994 | 0.84 | — | — | |
| SCHEMBL15933700 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9108903-B2 | Amides as modulators of sodium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-18 | — | — | US | disclosed |
| US-20140221435-A1 | AMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-07 | — | — | US | disclosed |