⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10176079 | 0.67 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL22738851 | 0.66 | GABRP (0.42) | — | |
| SCHEMBL3959338 | 0.66 | — | — | |
| SCHEMBL21101220 | 0.63 | NR1I2 (0.30) | — | |
| SCHEMBL3685692 | 0.62 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL4859696 | 0.62 | KDM4E (0.39) | — | |
| SCHEMBL2691041 | 0.62 | — | — | |
| SCHEMBL14016355 | 0.62 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL10177033 | 0.61 | — | — | |
| SCHEMBL10176897 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120309739-A1 | AKT / PKB INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2012-12-06 | — | — | US | disclosed |