⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27225337 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL1586974 | 0.80 | EPHX2 (0.43) | — | |
| SCHEMBL5568218 | 0.77 | CYP3A4 (0.32) | — | |
| SCHEMBL5567244 | 0.76 | HDAC2 (0.39) | — | |
| SCHEMBL27189622 | 0.75 | OPRM1 (0.34) | — | |
| SCHEMBL18319191 | 0.73 | ALDH1A1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL30019358 | 0.72 | CPB2 (0.31) | — | |
| SCHEMBL5567219 | 0.72 | CYP2D6 (0.41) | — | |
| SCHEMBL2334122 | 0.69 | USP2 (0.31) | — | |
| SCHEMBL476361 | 0.68 | OPRL1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2813227-A1 | Compositions for treatment of cystic fibrosis and other chronic diseases | Vertex Pharmaceuticals Incorporated (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2444120-A1 | Spirocyclic amiloride analogues as ENac blockers | Novartis AG (CH) | 2012-04-25 | — | — | EP | disclosed |