⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4023578 | 0.86 | HRH3 (0.32) | — | |
| SCHEMBL4026734 | 0.84 | HPGDS (0.34) | — | |
| SCHEMBL4026748 | 0.84 | HPGDS (0.34) | — | |
| SCHEMBL4019759 | 0.80 | MEN1 (0.37) | — | |
| SCHEMBL4019762 | 0.80 | MEN1 (0.37) | — | |
| SCHEMBL4027439 | 0.78 | OPRM1 (0.35) | — | |
| SCHEMBL4027446 | 0.78 | OPRM1 (0.35) | — | |
| SCHEMBL4022804 | 0.78 | KIF11 (0.33) | — | |
| SCHEMBL4022792 | 0.78 | KIF11 (0.33) | — | |
| SCHEMBL4022318 | 0.77 | PARP1 (0.32) | — |
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-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | claimed |