⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5970752 | 0.86 | — | — | |
| SCHEMBL772568 | 0.77 | — | — | |
| SCHEMBL1067278 | 0.77 | — | — | |
| SCHEMBL7206576 | 0.75 | — | — | |
| SCHEMBL6292906 | 0.72 | F2 (0.32) | — | |
| SCHEMBL1149039 | 0.72 | — | — | |
| SCHEMBL1149406 | 0.72 | — | — | |
| SCHEMBL3908644 | 0.70 | — | — | |
| SCHEMBL7788202 | 0.70 | — | — | |
| SCHEMBL10143199 | 0.69 | F2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2397462-A2 | Compounds, compositions and methods of treatment for heart failure | Cytokinetics, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |