⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17791088 | 0.92 | — | — | |
| SCHEMBL17791113 | 0.88 | — | — | |
| SCHEMBL17791100 | 0.85 | CA1 (0.51) | — | |
| SCHEMBL16408396 | 0.85 | — | — | |
| SCHEMBL17791114 | 0.83 | — | — | |
| SCHEMBL17791089 | 0.82 | — | — | |
| SCHEMBL16408392 | 0.81 | SCN8A (0.64) | — | |
| SCHEMBL16408241 | 0.81 | — | — | |
| SCHEMBL17791067 | 0.81 | — | — | |
| SCHEMBL16398704 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160152561-A1 | SULFONAMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2016-06-02 | — | — | US | disclosed |