⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3043600 | 0.96 | — | — | |
| SCHEMBL4762763 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL3025155 | 0.91 | DGAT1 (0.31) | — | |
| SCHEMBL22960824 | 0.76 | MAPK8 (0.30) | — | |
| SCHEMBL26115620 | 0.74 | — | — | |
| SCHEMBL29191940 | 0.74 | — | — | |
| SCHEMBL27891243 | 0.73 | — | — | |
| SCHEMBL20241255 | 0.73 | — | — | |
| SCHEMBL2833245 | 0.72 | — | — | |
| SCHEMBL20898651 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102282158-A | Azepinone derivatives | — | 2011-12-14 | — | — | CN | disclosed |
| EP-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |