⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL212340 | 1.00 | — | — | |
| SCHEMBL212337 | 1.00 | — | — | |
| SCHEMBL212339 | 1.00 | — | — | |
| SCHEMBL4341079 | 0.91 | — | — | |
| SCHEMBL2728277 | 0.91 | — | — | |
| SCHEMBL4341076 | 0.91 | — | — | |
| SCHEMBL4341077 | 0.91 | — | — | |
| SCHEMBL211507 | 0.90 | — | — | |
| SCHEMBL213359 | 0.90 | — | — | |
| SCHEMBL210835 | 0.89 | ABL1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |