⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166269 | 1.00 | — | — | |
| SCHEMBL29635683 | 1.00 | — | — | |
| Iodide SCHEMBL27998185 | 0.98 | NFE2L2 (0.66) | — | |
| Water SCHEMBL28234339 | 0.98 | NFE2L2 (0.66) | — | |
| Ammonia Solution, Strong SCHEMBL4264966 | 0.98 | NFE2L2 (0.66) | — | |
| Methyl Alcohol SCHEMBL27532229 | 0.95 | NFE2L2 (0.63) | — | |
| Cyanide SCHEMBL27670450 | 0.93 | NFE2L2 (0.61) | — | |
| SCHEMBL1689762 | 0.91 | NFE2L2 (0.59) | — | |
| SCHEMBL27760247 | 0.91 | NFE2L2 (0.59) | — | |
| SCHEMBL28153914 | 0.88 | ALDH1A1 (0.77) | — |
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-20120123120-A1 | No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-05-17 | — | — | US | disclosed |