⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29896300 | 0.64 | — | — | |
| SCHEMBL17676742 | 0.51 | — | — | |
| SCHEMBL16864160 | 0.48 | — | — | |
| SCHEMBL14724474 | 0.48 | — | — | |
| SCHEMBL8709758 | 0.48 | — | — | |
| SCHEMBL13552293 | 0.48 | — | — | |
| SCHEMBL13370647 | 0.48 | — | — | |
| SCHEMBL13937854 | 0.47 | — | — | |
| SCHEMBL10072613 | 0.47 | — | — | |
| SCHEMBL11977614 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2493888-B1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-04-06 | — | — | EP | disclosed |