⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21783516 | 0.82 | SCN8A (0.34) | — | |
| SCHEMBL21783387 | 0.81 | SSTR4 (0.30) | — | |
| SCHEMBL21783523 | 0.75 | PIK3CD (0.35) | — | |
| SCHEMBL31018048 | 0.75 | PIK3CD (0.35) | — | |
| SCHEMBL28335538 | 0.70 | PAX8 (0.32) | — | |
| SCHEMBL21783428 | 0.69 | SCN8A (0.33) | — | |
| SCHEMBL29989013 | 0.69 | SYK (0.37) | — | |
| SCHEMBL21783346 | 0.69 | SCN8A (0.32) | — | |
| SCHEMBL22331230 | 0.67 | SCN8A (0.35) | — | |
| SCHEMBL21783386 | 0.64 | SCN8A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020047323-A1 | HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2020-03-05 | — | — | WO | disclosed |