⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3666998 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL3670605 | 0.82 | CNR2 (0.34) | — | |
| SCHEMBL3675320 | 0.82 | TLR8 (0.31) | — | |
| SCHEMBL3768996 | 0.81 | SIRT2 (0.34) | — | |
| SCHEMBL3668665 | 0.80 | TLR8 (0.34) | — | |
| SCHEMBL3670329 | 0.79 | TLR8 (0.34) | — | |
| SCHEMBL3667597 | 0.78 | TLR8 (0.33) | — | |
| SCHEMBL3676625 | 0.77 | TLR8 (0.32) | — | |
| SCHEMBL3669835 | 0.77 | — | — | |
| SCHEMBL3666912 | 0.76 | HTT (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851484-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2010-12-14 | — | — | US | claimed |
| EP-2139478-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | Cytokinetics, Incorporated (US) | 2010-01-06 | — | — | EP | claimed |
| WO-2008121333-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-10-09 | — | — | WO | claimed |
| US-20080242695-A1 | Certain Chemical Entities, Compositions, and Methods | CYTOKINETICS, INC. | 2008-10-02 | — | — | US | claimed |
| US-7851484-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-20080242695-A1 | Certain Chemical Entities, Compositions, and Methods | CYTOKINETICS, INC. | 2008-10-02 | — | — | US | disclosed |