⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5478751 | 1.00 | — | — | |
| SCHEMBL991349 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL5481877 | 0.81 | — | — | |
| SCHEMBL5481876 | 0.81 | — | — | |
| SCHEMBL18594797 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL5475914 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL5475911 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL4391808 | 0.75 | HTT (0.42) | — | |
| SCHEMBL31448630 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL16626245 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070275944-A1 | Antioxidants and methods of their use | THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY | 2007-11-29 | — | — | US | disclosed |