⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13760923 | 0.72 | — | — | |
| SCHEMBL6634636 | 0.72 | — | — | |
| SCHEMBL9762685 | 0.72 | — | — | |
| SCHEMBL4660660 | 0.72 | — | — | |
| SCHEMBL4662117 | 0.72 | — | — | |
| SCHEMBL6175316 | 0.72 | — | — | |
| SCHEMBL23296544 | 0.67 | SLC1A2 (0.39) | — | |
| SCHEMBL10141330 | 0.65 | — | — | |
| SCHEMBL8224339 | 0.65 | — | — | |
| SCHEMBL3676841 | 0.65 | — | — |
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 2 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 |
| 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 |