⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9948590 | 0.72 | PDE2A (0.33) | — | |
| SCHEMBL17103455 | 0.69 | — | — | |
| SCHEMBL791268 | 0.68 | — | — | |
| SCHEMBL790075 | 0.66 | PDE2A (0.32) | — | |
| SCHEMBL1220398 | 0.64 | MAP4K4 (0.37) | — | |
| SCHEMBL790705 | 0.64 | — | — | |
| SCHEMBL4262611 | 0.63 | — | — | |
| SCHEMBL15539918 | 0.62 | — | — | |
| SCHEMBL3768484 | 0.62 | — | — | |
| SCHEMBL24400388 | 0.61 | LOXL2 (0.30) | — |
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-20120165334-A1 | Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors | AMGEN INC. (US) | 2012-06-28 | — | — | US | disclosed |