⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23770417 | 0.90 | GAA (0.33) | — | |
| SCHEMBL23770432 | 0.88 | SCN9A (0.30) | — | |
| SCHEMBL23770644 | 0.87 | NOS3 (0.31) | — | |
| SCHEMBL23770576 | 0.87 | SCN9A (0.31) | — | |
| SCHEMBL23770602 | 0.86 | NOS3 (0.33) | — | |
| SCHEMBL23770546 | 0.86 | — | — | |
| SCHEMBL23770419 | 0.85 | GAA (0.32) | — | |
| SCHEMBL23770550 | 0.84 | NOS3 (0.31) | — | |
| SCHEMBL23770406 | 0.83 | NOS3 (0.30) | — | |
| SCHEMBL23770434 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3504194-B1 | N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-08-18 | — | — | EP | disclosed |