⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20023972 | 0.82 | SCN9A (0.30) | — | |
| SCHEMBL20239864 | 0.81 | — | — | |
| SCHEMBL23850078 | 0.79 | — | — | |
| SCHEMBL29036990 | 0.77 | — | — | |
| SCHEMBL4272939 | 0.76 | CYP2C9 (0.42) | — | |
| SCHEMBL1344981 | 0.74 | NR5A1 (0.40) | — | |
| SCHEMBL3435460 | 0.74 | — | — | |
| SCHEMBL21452660 | 0.73 | — | — | |
| Phosphine SCHEMBL27351839 | 0.73 | NR5A1 (0.39) | — | |
| SCHEMBL29139219 | 0.72 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240368189-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMA (US) | 2024-11-07 | — | — | US | disclosed |
| US-11866450-B2 | Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2024-01-09 | — | — | US | disclosed |
| EP-4198037-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-06-21 | — | — | EP | disclosed |
| EP-4198037-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-06-21 | — | — | EP | disclosed |
| EP-3752510-B1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMA (US) | 2022-12-07 | — | — | EP | disclosed |
| EP-3752510-B1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMA (US) | 2022-12-07 | — | — | EP | disclosed |
| US-20220106331-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2022-04-07 | — | — | US | disclosed |
| US-11066417-B2 | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-07-20 | — | — | US | disclosed |
| US-11066417-B2 | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-07-20 | — | — | US | disclosed |
| EP-3752510-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | Vertex Pharmaceuticals Incorporated (US) | 2020-12-23 | — | — | EP | disclosed |
| CN-112004817-A | Macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cystic fibrosis, and processes for their preparation | 弗特克斯药品有限公司 | 2020-11-27 | — | — | CN | disclosed |
| WO-2019161078-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-22 | — | — | WO | disclosed |
| WO-2019161078-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-22 | — | — | WO | disclosed |
| US-20190248809-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-15 | — | — | US | disclosed |
| US-20190248809-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-15 | — | — | US | disclosed |