⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24718032 | 0.83 | — | — | |
| SCHEMBL20329284 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL24856959 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL23334417 | 0.77 | — | — | |
| SCHEMBL3268894 | 0.77 | — | — | |
| SCHEMBL2755092 | 0.76 | — | — | |
| SCHEMBL12733693 | 0.75 | CYP1A2 (0.34) | — | |
| SCHEMBL24857106 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL16849099 | 0.72 | — | — | |
| SCHEMBL14964520 | 0.71 | — | — |
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-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 |