⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29036990 | 0.83 | — | — | |
| SCHEMBL20023972 | 0.75 | SCN9A (0.30) | — | |
| SCHEMBL20024105 | 0.75 | HPGD (0.32) | — | |
| SCHEMBL20260959 | 0.73 | — | — | |
| SCHEMBL23850078 | 0.72 | — | — | |
| SCHEMBL21245065 | 0.72 | — | — | |
| SCHEMBL20023949 | 0.72 | HPGD (0.36) | — | |
| SCHEMBL22524632 | 0.72 | — | — | |
| SCHEMBL20239696 | 0.71 | — | — | |
| SCHEMBL20239797 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117843619-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods for preparing the modulators | 弗特克斯药品有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-110267948-B | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods for preparing the modulators | 弗特克斯药品有限公司 | 2023-12-08 | — | — | CN | disclosed |