⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13712688 | 0.80 | MAPK14 (0.33) | — | |
| SCHEMBL14128005 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL2605835 | 0.76 | SSTR4 (0.31) | — | |
| SCHEMBL13439264 | 0.73 | — | — | |
| SCHEMBL14127894 | 0.70 | KDM4E (0.41) | — | |
| SCHEMBL13405589 | 0.68 | HPGD (0.30) | — | |
| SCHEMBL13439266 | 0.68 | LATS1 (0.35) | — | |
| SCHEMBL21969672 | 0.67 | — | — | |
| SCHEMBL13712689 | 0.66 | KDM4E (0.34) | — | |
| SCHEMBL13439261 | 0.66 | MAPK14 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7705014-B2 | Inhibitors of AKT activity | MERCK SHARP & DOHME CORP. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20090062327-A1 | Inhibitors of AKT Activity | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |