⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9881308 | 0.62 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL13055491 | 0.60 | — | — | |
| SCHEMBL13594666 | 0.57 | — | — | |
| SCHEMBL8476138 | 0.57 | — | — | |
| SCHEMBL6745306 | 0.57 | — | — | |
| SCHEMBL10249383 | 0.55 | — | — | |
| Ethylene SCHEMBL687839 | 0.53 | — | — | |
| SCHEMBL8570254 | 0.53 | — | — | |
| SCHEMBL2798222 | 0.49 | — | — | |
| SCHEMBL9776890 | 0.49 | — | — |
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-9732080-B2 | Azaindole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-15 | — | — | US | disclosed |
| US-20150336956-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARAMCEUTICALS INCORPORATED | 2015-11-26 | — | — | US | disclosed |
| US-9102672-B2 | Azaindole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-11 | — | — | US | disclosed |
| US-20140024672-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-23 | — | — | US | disclosed |