⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3669875 | 0.93 | BACE1 (0.30) | — | |
| SCHEMBL3667642 | 0.90 | BACE1 (0.31) | — | |
| SCHEMBL3768784 | 0.89 | KDM4E (0.33) | — | |
| SCHEMBL3667708 | 0.84 | HRH4 (0.33) | — | |
| SCHEMBL3676314 | 0.84 | HRH4 (0.32) | — | |
| SCHEMBL13007659 | 0.84 | HRH4 (0.32) | — | |
| SCHEMBL3666328 | 0.83 | BACE1 (0.36) | — | |
| SCHEMBL3669278 | 0.82 | HRH4 (0.32) | — | |
| SCHEMBL13007631 | 0.82 | HRH4 (0.32) | — | |
| SCHEMBL3780821 | 0.82 | HRH4 (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 4 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 |
| 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 |