⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19136540 | 0.82 | GABRP (0.31) | — | |
| SCHEMBL2551857 | 0.82 | GABRP (0.31) | — | |
| SCHEMBL1980598 | 0.82 | GABRP (0.31) | — | |
| SCHEMBL4288549 | 0.81 | — | — | |
| SCHEMBL78956 | 0.80 | GABRR1 (0.43) | — | |
| SCHEMBL1028103 | 0.80 | GABRR1 (0.43) | — | |
| SCHEMBL80779 | 0.80 | GABRR1 (0.43) | — | |
| SCHEMBL80655 | 0.77 | — | — | |
| SCHEMBL28608405 | 0.77 | CA2 (0.31) | — | |
| SCHEMBL1806245 | 0.77 | — | — |
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-20090227616-A1 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORPORATION, A CORPORATION | 2009-09-10 | — | — | US | disclosed |