⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12848705 | 0.62 | NOS3 (0.30) | — | |
| SCHEMBL19997497 | 0.59 | — | — | |
| SCHEMBL12413743 | 0.59 | — | — | |
| SCHEMBL15359623 | 0.55 | — | — | |
| SCHEMBL2179725 | 0.55 | — | — | |
| SCHEMBL16145632 | 0.54 | — | — | |
| SCHEMBL12848707 | 0.54 | — | — | |
| SCHEMBL17742283 | 0.54 | — | — | |
| SCHEMBL19681794 | 0.48 | — | — | |
| SCHEMBL714755 | 0.48 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9957271-B2 | Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2018-05-01 | — | — | US | disclosed |
| US-9957271-B2 | Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2018-05-01 | — | — | US | disclosed |
| US-20140349993-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2014-11-27 | — | — | US | disclosed |
| US-20110052643-A1 | COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2011-03-03 | — | — | US | disclosed |