⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26980977 | 0.85 | — | — | |
| SCHEMBL26980995 | 0.81 | PTGS1 (0.30) | — | |
| SCHEMBL26980975 | 0.78 | APP (0.34) | — | |
| SCHEMBL21244723 | 0.74 | — | — | |
| SCHEMBL21244373 | 0.69 | — | — | |
| SCHEMBL5784177 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL21244722 | 0.67 | DGAT1 (0.32) | — | |
| SCHEMBL19210135 | 0.66 | — | — | |
| SCHEMBL21245006 | 0.66 | SCN9A (0.32) | — | |
| SCHEMBL21244457 | 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 4 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 |
| 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 |
| 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 |