⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5576929 | 0.81 | GAA (0.36) | — | |
| SCHEMBL5576969 | 0.81 | GAA (0.36) | — | |
| SCHEMBL5576562 | 0.81 | GAA (0.36) | — | |
| SCHEMBL14422023 | 0.81 | GAA (0.33) | — | |
| SCHEMBL193551 | 0.75 | — | — | |
| SCHEMBL6434008 | 0.71 | — | — | |
| SCHEMBL5569891 | 0.70 | — | — | |
| SCHEMBL1449438 | 0.70 | — | — | |
| SCHEMBL5569893 | 0.70 | — | — | |
| SCHEMBL27936631 | 0.70 | — | — |
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-7271274-B2 | Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease | AHTEROGENICS, INC. (US) | 2007-09-18 | — | — | US | disclosed |
| US-20060020038-A1 | Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease | CRABTREE ACQUISITION CO, LLC | 2006-01-26 | — | — | US | disclosed |
| WO-2005112914-A2 | PHENOLIC ANTIOXIDANTS FOR THE TREATMENT OF DISORDERS INCLUDING ARTHRITIS, ASTHMA AND CORONARY ARTERY DISEASE | ATHEROGENICS, INC. (US) | 2005-12-01 | — | — | WO | disclosed |