⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4020652 | 0.92 | MGLL (0.32) | — | |
| SCHEMBL4020376 | 0.88 | MGLL (0.34) | — | |
| SCHEMBL4020378 | 0.88 | MGLL (0.34) | — | |
| SCHEMBL4018846 | 0.79 | MGLL (0.36) | — | |
| SCHEMBL4024700 | 0.78 | MGLL (0.35) | — | |
| SCHEMBL4019096 | 0.77 | MGLL (0.35) | — | |
| SCHEMBL4019088 | 0.77 | MGLL (0.35) | — | |
| SCHEMBL4749472 | 0.77 | MGLL (0.32) | — | |
| SCHEMBL4751720 | 0.76 | ITGB3 (0.35) | — | |
| SCHEMBL4025089 | 0.76 | MGLL (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-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |