⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2286007 | 0.79 | PDE10A (0.39) | — | |
| SCHEMBL2286829 | 0.78 | BACE1 (0.32) | — | |
| SCHEMBL4110510 | 0.78 | DHFR (0.33) | — | |
| SCHEMBL4111036 | 0.77 | PDE2A (0.38) | — | |
| SCHEMBL2289587 | 0.75 | NCF1 (0.33) | — | |
| SCHEMBL4120161 | 0.75 | PDE10A (0.44) | — | |
| SCHEMBL4110186 | 0.74 | NQO1 (0.34) | — | |
| SCHEMBL2285500 | 0.74 | CYP1A2 (0.43) | — | |
| SCHEMBL2287771 | 0.73 | DHFR (0.31) | — | |
| SCHEMBL2287783 | 0.73 | DHFR (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998976-B2 | Certain chemical entities, compositions and methods | CYTOKINETICS, INC. (US) | 2011-08-16 | — | — | US | claimed |
| US-20090247571-A1 | Certain Chemical Entities, Compositions and Methods | CYTOKINETICS, INCORPORATED | 2009-10-01 | — | — | US | claimed |
| US-7998976-B2 | Certain chemical entities, compositions and methods | CYTOKINETICS, INC. (US) | 2011-08-16 | — | — | US | disclosed |
| US-7998976-B2 | Certain chemical entities, compositions and methods | CYTOKINETICS, INC. (US) | 2011-08-16 | — | — | US | disclosed |
| US-20090247571-A1 | Certain Chemical Entities, Compositions and Methods | CYTOKINETICS, INCORPORATED | 2009-10-01 | — | — | US | disclosed |
| US-20090247571-A1 | Certain Chemical Entities, Compositions and Methods | CYTOKINETICS, INCORPORATED | 2009-10-01 | — | — | US | disclosed |