⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2755064 | 0.93 | KCNH2 (0.33) | — | |
| SCHEMBL12727652 | 0.82 | KCNH2 (0.31) | — | |
| SCHEMBL12733710 | 0.80 | — | — | |
| SCHEMBL3245964 | 0.74 | — | — | |
| SCHEMBL3245914 | 0.73 | — | — | |
| SCHEMBL2755076 | 0.71 | — | — | |
| SCHEMBL27408096 | 0.71 | — | — | |
| SCHEMBL2755062 | 0.71 | — | — | |
| SCHEMBL13550809 | 0.70 | — | — | |
| SCHEMBL22926512 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8536193-B2 | Inhibitors of AKT activity | MERCK SHARP & DOHME CORP. (US) | 2013-09-17 | — | — | US | disclosed |
| US-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2012-01-05 | — | — | US | disclosed |
| US-20110082135-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2011-04-07 | — | — | US | disclosed |
| US-20100022573-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. | 2010-01-28 | — | — | US | disclosed |