⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20260676 | 1.00 | — | — | |
| SCHEMBL22524758 | 1.00 | — | — | |
| SCHEMBL20260959 | 0.75 | — | — | |
| SCHEMBL20239797 | 0.72 | — | — | |
| SCHEMBL20024119 | 0.70 | — | — | |
| SCHEMBL23862581 | 0.69 | — | — | |
| SCHEMBL20024142 | 0.68 | SCN9A (0.31) | — | |
| SCHEMBL22524632 | 0.68 | — | — | |
| SCHEMBL20024105 | 0.67 | HPGD (0.32) | — | |
| SCHEMBL20239696 | 0.67 | — | — |
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-3812379-A1 | CRYSTALLINE FORM OF A N-(PYRAZOL-4-YL)SULFONYL-6-(PYRAZOL-1-YL)-2-(PYRROLIDIN-1-YL)PYRIDINE-3-CARBOXAMIDE FOR TREATING CYSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2021-04-28 | — | — | EP | disclosed |