⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22524632 | 0.79 | — | — | |
| SCHEMBL20024105 | 0.76 | HPGD (0.32) | — | |
| SCHEMBL20260676 | 0.75 | — | — | |
| SCHEMBL22524758 | 0.75 | — | — | |
| SCHEMBL23282934 | 0.75 | — | — | |
| SCHEMBL20239797 | 0.75 | — | — | |
| SCHEMBL20023949 | 0.73 | HPGD (0.36) | — | |
| SCHEMBL29139219 | 0.73 | — | — | |
| SCHEMBL20024155 | 0.70 | NUDT1 (0.36) | — | |
| SCHEMBL20239696 | 0.69 | — | — |
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 5 patents. 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 |
| EP-3551622-B1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMA (US) | 2020-10-07 | — | — | EP | disclosed |
| US-10793547-B2 | Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-10-06 | — | — | US | disclosed |
| WO-2018107100-A1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| US-20180162839-A1 | Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2018-06-14 | — | — | US | disclosed |