⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14116385 | 0.84 | — | — | |
| SCHEMBL19913377 | 0.75 | — | — | |
| SCHEMBL12370923 | 0.74 | — | — | |
| SCHEMBL19354607 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL19736786 | 0.72 | PRMT5 (0.39) | — | |
| SCHEMBL14092293 | 0.72 | TP53 (0.49) | — | |
| SCHEMBL19450808 | 0.72 | HDAC6 (0.34) | — | |
| SCHEMBL18852462 | 0.70 | MAP4K4 (0.34) | — | |
| SCHEMBL12545623 | 0.68 | RXRA (0.41) | — | |
| SCHEMBL17465964 | 0.67 | TRPA1 (0.41) | — |
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-7414055-B2 | Inhibitors of Akt activity | MERCK & CO., INC. (US) | 2008-08-19 | — | — | US | disclosed |