⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20024034 | 0.79 | — | — | |
| SCHEMBL20023922 | 0.76 | — | — | |
| SCHEMBL21244808 | 0.69 | — | — | |
| SCHEMBL21452644 | 0.67 | CFTR (0.37) | — | |
| SCHEMBL21244625 | 0.67 | PDK2 (0.30) | — | |
| SCHEMBL21288467 | 0.67 | CFTR (0.39) | — | |
| SCHEMBL20029735 | 0.67 | CFTR (0.39) | — | |
| SCHEMBL20023932 | 0.66 | — | — | |
| SCHEMBL21244765 | 0.66 | — | — | |
| SCHEMBL23006873 | 0.65 | CFTR (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109803962-B | Modulators of cystic fibrosis transmembrane conductance regulator proteins, and pharmaceutical compositions | 弗特克斯药品有限公司 | 2022-04-29 | — | — | CN | disclosed |
| US-11186566-B2 | Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-11-30 | — | — | US | disclosed |
| EP-3519401-B1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMA (US) | 2021-09-29 | — | — | EP | disclosed |
| US-20200283405-A1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2020-09-10 | — | — | US | disclosed |
| US-20200283405-A1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2020-09-10 | — | — | US | disclosed |
| US-10570115-B2 | Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-02-25 | — | — | US | disclosed |
| US-20180093969-A1 | Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator | VERTEX PHARMACEUTICALS INCORPORATED | 2018-04-05 | — | — | US | disclosed |
| WO-2018064632-A1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-04-05 | — | — | WO | disclosed |