⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4949052 | 0.73 | GSTP1 (0.35) | — | |
| SCHEMBL9794037 | 0.62 | CYP19A1 (0.35) | — | |
| SCHEMBL20243794 | 0.55 | LMNA (0.31) | — | |
| SCHEMBL9793999 | 0.54 | CYP19A1 (0.44) | — | |
| SCHEMBL3531548 | 0.53 | GRIN1 (0.41) | — | |
| SCHEMBL14871768 | 0.53 | MEN1 (0.33) | — | |
| SCHEMBL14498933 | 0.53 | — | — | |
| SCHEMBL15656118 | 0.53 | — | — | |
| SCHEMBL20254178 | 0.53 | KMT2A (0.59) | — | |
| SCHEMBL107676 | 0.53 | KMT2A (0.59) | — |
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-20070149536-A1 | Inhibitors of Akt activity | MERCK SHARP & DOHME CORP. | 2007-06-28 | — | — | US | disclosed |