⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23282957 | 0.82 | — | — | |
| SCHEMBL20859673 | 0.79 | — | — | |
| SCHEMBL18483466 | 0.77 | — | — | |
| SCHEMBL20260595 | 0.77 | — | — | |
| SCHEMBL1197539 | 0.69 | — | — | |
| SCHEMBL24908253 | 0.64 | — | — | |
| SCHEMBL1279636 | 0.64 | — | — | |
| SCHEMBL3119071 | 0.64 | — | — | |
| SCHEMBL20859661 | 0.64 | — | — | |
| SCHEMBL690803 | 0.64 | — | — |
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-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-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 |