⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007831 | 0.75 | — | — | |
| SCHEMBL11007834 | 0.75 | — | — | |
| SCHEMBL17767264 | 0.69 | — | — | |
| SCHEMBL104998 | 0.64 | — | — | |
| SCHEMBL10967639 | 0.58 | — | — | |
| SCHEMBL8999504 | 0.58 | — | — | |
| SCHEMBL10092854 | 0.58 | — | — | |
| SCHEMBL1846482 | 0.57 | — | — | |
| SCHEMBL14899637 | 0.56 | EPHX1 (0.43) | — | |
| SCHEMBL23394531 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-117285547-A | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-12-26 | — | — | 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 |
| CN-112004817-B | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-06-23 | — | — | CN | disclosed |
| US-4786654-A | INSECTICIDES, LARVICIDES FOR RICE CROPS | CIBA-GEIGY CORPORATION (US) | 1988-11-22 | — | — | US | disclosed |
| EP-0250360-A2 | Substituted benzyl-cyclopropyl-methyl-ethers | CIBA-GEIGY AG (CH) | 1987-12-23 | — | — | EP | disclosed |