⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20915037 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL23009908 | 0.79 | KDM6B (0.40) | — | |
| SCHEMBL23009919 | 0.77 | — | — | |
| SCHEMBL23009909 | 0.75 | — | — | |
| SCHEMBL20029798 | 0.73 | CFTR (0.31) | — | |
| SCHEMBL23009910 | 0.72 | CCNE2 (0.31) | — | |
| SCHEMBL20239848 | 0.69 | DGAT1 (0.33) | — | |
| SCHEMBL21815230 | 0.68 | RARB (0.43) | — | |
| SCHEMBL3263726 | 0.68 | TSHR (0.42) | — | |
| SCHEMBL21275065 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3697774-B1 | CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS | VERTEX PHARMA (US) | 2025-09-24 | — | — | EP | disclosed |
| CN-111757874-B | Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2024-03-08 | — | — | CN | disclosed |
| 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-11155533-B2 | Crystalline forms and compositions of CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-26 | — | — | US | disclosed |
| US-20200392109-A1 | CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-12-17 | — | — | US | disclosed |
| CN-111757874-A | Method for producing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2020-10-09 | — | — | CN | disclosed |
| EP-3697774-A1 | CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-26 | — | — | EP | disclosed |
| US-10654829-B2 | Crystalline forms and compositions of CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-05-19 | — | — | US | disclosed |
| WO-2019079760-A1 | CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-04-25 | — | — | WO | disclosed |
| US-20190119253-A1 | CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS | VERTEX PHARAMCEUTICALS INCORPORATED (US) | 2019-04-25 | — | — | US | disclosed |