⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12733710 | 0.89 | — | — | |
| SCHEMBL3245964 | 0.87 | — | — | |
| SCHEMBL12770341 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL15255685 | 0.73 | — | — | |
| SCHEMBL12733699 | 0.72 | — | — | |
| SCHEMBL27408096 | 0.70 | — | — | |
| SCHEMBL13550809 | 0.69 | — | — | |
| SCHEMBL3250844 | 0.68 | — | — | |
| SCHEMBL3247656 | 0.68 | — | — | |
| SCHEMBL24716710 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2012-01-05 | — | — | US | disclosed |