⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7790194 | 0.63 | — | — | |
| SCHEMBL1586980 | 0.62 | — | — | |
| SCHEMBL16485407 | 0.61 | — | — | |
| SCHEMBL22492430 | 0.61 | — | — | |
| SCHEMBL4404840 | 0.61 | — | — | |
| SCHEMBL23678204 | 0.57 | — | — | |
| SCHEMBL28249860 | 0.57 | ALDH1A1 (0.50) | — | |
| SCHEMBL101239 | 0.57 | — | — | |
| SCHEMBL7950114 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL18203575 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2813227-A1 | Compositions for treatment of cystic fibrosis and other chronic diseases | Vertex Pharmaceuticals Incorporated (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2490687-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011050325-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | WO | disclosed |