⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5983928 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL6727016 | 0.75 | — | — | |
| SCHEMBL6726973 | 0.74 | BCHE (0.34) | — | |
| SCHEMBL5984765 | 0.70 | — | — | |
| SCHEMBL27551737 | 0.69 | — | — | |
| SCHEMBL5984227 | 0.68 | GABBR2 (0.34) | — | |
| SCHEMBL5984261 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL6731668 | 0.65 | RXRA (0.32) | — | |
| SCHEMBL6270579 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL8807107 | 0.63 | ALDH1A1 (0.39) | — |
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-6835754-B2 | Administering alpha-(4-hydroxy-3,5-di-tert-butylphenyl)-N-tert-octylnitrone for example | RENOVIS, INC. | 2004-12-28 | — | — | US | disclosed |
| US-20040209958-A1 | Use of aryl nitrone compounds in methods for treating neuropathic pain | RENOVIS, INC. | 2004-10-21 | — | — | US | disclosed |
| US-20020165274-A1 | Use of aryl nitrone compounds in methods for treating neuropathic pain | RENOVIS, INC. | 2002-11-07 | — | — | US | disclosed |