⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7246452 | 0.79 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL6235866 | 0.75 | CASP3 (0.31) | — | |
| SCHEMBL28548570 | 0.72 | — | — | |
| SCHEMBL730792 | 0.72 | ALB (0.41) | — | |
| SCHEMBL1476008 | 0.71 | DGAT1 (0.41) | — | |
| SCHEMBL3835497 | 0.71 | PRSS1 (0.31) | — | |
| SCHEMBL10574764 | 0.71 | — | — | |
| SCHEMBL1476023 | 0.71 | GAA (0.56) | — | |
| SCHEMBL1476818 | 0.71 | KMT2A (0.41) | — | |
| SCHEMBL1477248 | 0.71 | AR (0.38) | — |
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-2005005382-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | CYTOKINETICS, INC. (US) | 2005-01-20 | — | — | WO | disclosed |