⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5423127 | 0.84 | SCN8A (0.68) | — | |
| SCHEMBL14372460 | 0.79 | CA1 (0.57) | — | |
| SCHEMBL14372379 | 0.78 | PTGS1 (0.68) | — | |
| SCHEMBL17791092 | 0.74 | — | — | |
| SCHEMBL17791073 | 0.74 | — | — | |
| SCHEMBL17791103 | 0.74 | — | — | |
| SCHEMBL14372452 | 0.73 | — | — | |
| SCHEMBL14372361 | 0.73 | KCNK3 (0.67) | — | |
| SCHEMBL28860499 | 0.72 | MEN1 (0.59) | — | |
| SCHEMBL17791072 | 0.72 | — | — |
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-8841483-B2 | Compositions useful as inhibitors of voltage-gated sodium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-23 | — | — | US | disclosed |
| US-20070238733-A1 | Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders | VERTEX PHARMACEUTICALS INCORPORATED | 2007-10-11 | — | — | US | disclosed |