⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21789030 | 0.73 | HCRTR2 (0.34) | — | |
| SCHEMBL21829904 | 0.72 | — | — | |
| SCHEMBL20640521 | 0.69 | — | — | |
| SCHEMBL22879178 | 0.69 | EPHX2 (0.31) | — | |
| SCHEMBL31106937 | 0.68 | — | — | |
| SCHEMBL14697508 | 0.68 | FKBP1A (0.34) | — | |
| SCHEMBL14697507 | 0.68 | FKBP1A (0.34) | — | |
| SCHEMBL12497991 | 0.66 | HDAC4 (0.32) | — | |
| SCHEMBL16820628 | 0.63 | HDAC4 (0.31) | — | |
| SCHEMBL21830040 | 0.63 | CYP4F2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020047447-A1 | CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS, INC. (US) | 2020-03-05 | — | — | WO | disclosed |