⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7464551 | 0.93 | — | — | |
| SCHEMBL8602855 | 0.90 | MET (0.36) | — | |
| SCHEMBL29889248 | 0.88 | OPRM1 (0.43) | — | |
| SCHEMBL1249492 | 0.87 | — | — | |
| SCHEMBL3470529 | 0.86 | — | — | |
| SCHEMBL4613762 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL9891 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL641967 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL15978065 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL5081429 | 0.81 | OPRM1 (0.43) | — |
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-8614221-B2 | Inhibitors of Akt activity | MERCK SHARP & DOHME CORP. (US) | 2013-12-24 | — | — | US | disclosed |
| US-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2012-01-05 | — | — | US | disclosed |