⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16775802 | 0.75 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL1816731 | 0.66 | GAK (0.38) | — | |
| SCHEMBL1841385 | 0.65 | KCNH2 (0.39) | — | |
| SCHEMBL20733150 | 0.64 | PTGER4 (0.39) | — | |
| SCHEMBL20733299 | 0.63 | EGLN2 (0.39) | — | |
| SCHEMBL19670139 | 0.62 | MAP4K4 (0.37) | — | |
| SCHEMBL19670142 | 0.62 | MAP4K4 (0.42) | — | |
| SCHEMBL19670180 | 0.61 | HRH3 (0.34) | — | |
| SCHEMBL20733111 | 0.60 | MAPK14 (0.36) | — | |
| SCHEMBL20733270 | 0.60 | PDE10A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011059839-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |