⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28313846 | 0.78 | — | — | |
| SCHEMBL6745334 | 0.78 | — | — | |
| SCHEMBL24653490 | 0.72 | — | — | |
| SCHEMBL28926262 | 0.72 | — | — | |
| SCHEMBL24653489 | 0.72 | — | — | |
| SCHEMBL31115664 | 0.72 | — | — | |
| SCHEMBL1320186 | 0.70 | — | — | |
| SCHEMBL205358 | 0.70 | — | — | |
| SCHEMBL9180380 | 0.70 | — | — | |
| SCHEMBL6305974 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |