⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1902949 | 0.87 | AKT1 (0.36) | — | |
| SCHEMBL1907601 | 0.79 | — | — | |
| SCHEMBL1903372 | 0.78 | OPRM1 (0.30) | — | |
| SCHEMBL1907758 | 0.76 | AKT1 (0.39) | — | |
| SCHEMBL1905484 | 0.74 | CYP3A4 (0.36) | — | |
| SCHEMBL1908162 | 0.73 | OPRM1 (0.32) | — | |
| SCHEMBL1905294 | 0.72 | AKT1 (0.32) | — | |
| SCHEMBL1898953 | 0.71 | AKT1 (0.37) | — | |
| SCHEMBL1907828 | 0.71 | AKT1 (0.37) | — | |
| SCHEMBL1905018 | 0.71 | EGFR (0.34) | — |
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-2011055115-A1 | AKT / PKB INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2011-05-12 | — | — | WO | disclosed |