⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533584 | 0.82 | — | — | |
| SCHEMBL533557 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL7171036 | 0.74 | — | — | |
| SCHEMBL534344 | 0.73 | — | — | |
| SCHEMBL5233717 | 0.71 | NOS2 (0.38) | — | |
| SCHEMBL2478085 | 0.69 | — | — | |
| SCHEMBL666356 | 0.67 | — | — | |
| SCHEMBL22589343 | 0.65 | — | — | |
| SCHEMBL13517967 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL182666 | 0.64 | ESR1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100345823-C | Compounds, compositions and methods | CYTOKINETICS INC (US) | 2007-10-31 | — | — | CN | disclosed |
| CN-1738793-A | Compounds, compositions and methods | CYTOKINETICS INC (US) | 2006-02-22 | — | — | CN | disclosed |