⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20859673 | 0.79 | — | — | |
| SCHEMBL18483466 | 0.77 | — | — | |
| SCHEMBL23282957 | 0.77 | — | — | |
| SCHEMBL20260980 | 0.77 | — | — | |
| SCHEMBL20260662 | 0.71 | GAA (0.37) | — | |
| SCHEMBL690803 | 0.69 | — | — | |
| SCHEMBL113911 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1557971 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL15995645 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL25680933 | 0.65 | COMT (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357191-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 | 2023-11-09 | — | — | US | disclosed |
| 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 |
| WO-2019152940-A1 | PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-08 | — | — | WO | disclosed |
| WO-2019113476-A2 | PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-06-13 | — | — | WO | 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 |