⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL863827 | 1.00 | — | — | |
| SCHEMBL5156795 | 1.00 | — | — | |
| SCHEMBL22166739 | 0.94 | CYP1A2 (0.38) | — | |
| SCHEMBL283689 | 0.86 | — | — | |
| SCHEMBL167570 | 0.86 | — | — | |
| SCHEMBL931042 | 0.86 | — | — | |
| SCHEMBL13449809 | 0.85 | CYP1A2 (0.46) | — | |
| SCHEMBL12459735 | 0.85 | CYP1A2 (0.46) | — | |
| SCHEMBL864534 | 0.82 | CYP1A2 (0.51) | — | |
| SCHEMBL864228 | 0.80 | CYP1A2 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018161-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2024-01-18 | — | — | US | disclosed |
| US-20240018161-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2024-01-18 | — | — | US | disclosed |
| CN-116670143-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-29 | — | — | CN | disclosed |
| EP-1740522-A2 | BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-01-10 | — | — | EP | disclosed |
| US-20060025474-A1 | Bisphenyl compounds useful as vitamin D3 receptor agonists | CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) | 2006-02-02 | — | — | US | disclosed |
| WO-2005087700-A2 | BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-09-22 | — | — | WO | disclosed |