⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3635171 | 0.58 | — | — | |
| Furan SCHEMBL29084313 | 0.56 | — | — | |
| Furan SCHEMBL11414424 | 0.50 | — | — | |
| Furan SCHEMBL27460884 | 0.50 | — | — | |
| Furan SCHEMBL5028505 | 0.50 | — | — | |
| Furan SCHEMBL419906 | 0.49 | — | — | |
| Furan SCHEMBL2053866 | 0.49 | MAPK1 (1.00) | — | |
| Furan SCHEMBL315 | 0.49 | — | — | |
| Furan SCHEMBL2487247 | 0.46 | — | — | |
| Furan SCHEMBL8162355 | 0.46 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516435-A1 | INHIBITORS OF AKT ACTIVITY | Almac Discovery Limited (GB) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011077098-A9 | INHIBITORS OF AKT ACTIVITY | ALMAC DISCOVERY LIMITED (GB) | 2012-04-19 | — | — | WO | disclosed |
| WO-2011077098-A1 | INHIBITORS OF AKT ACTIVITY | ALMAC DISCOVERY LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |