⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14905171 | 0.90 | — | — | |
| SCHEMBL17689261 | 0.76 | — | — | |
| SCHEMBL16273294 | 0.76 | — | — | |
| SCHEMBL13772908 | 0.67 | — | — | |
| SCHEMBL9229414 | 0.66 | — | — | |
| SCHEMBL13772912 | 0.64 | — | — | |
| SCHEMBL12767117 | 0.60 | ACHE (0.32) | — | |
| SCHEMBL13791547 | 0.57 | — | — | |
| SCHEMBL14788340 | 0.56 | — | — | |
| Acetic Acid SCHEMBL28049850 | 0.55 | FFAR3 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140128571-A1 | AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS | THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-05-08 | — | — | US | disclosed |
| US-20130224170-A1 | METHOD OF AMELIORATING OXIDATIVE STRESS AND SUPPLEMENTING THE DIET | THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2013-08-29 | — | — | US | disclosed |
| US-20130108605-A1 | METHOD OF AMELIORATING OXIDATIVE STRESS AND SUPPLEMENTING THE DIET | THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2013-05-02 | — | — | US | disclosed |