⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1622 | 1.00 | — | — | |
| Fluoride SCHEMBL25376004 | 0.96 | CYP2A6 (0.57) | — | |
| SCHEMBL164941 | 0.96 | — | — | |
| SCHEMBL4600807 | 0.96 | — | — | |
| SCHEMBL1991704 | 0.90 | MAPK1 (0.55) | — | |
| SCHEMBL12562840 | 0.90 | MAPK1 (0.55) | — | |
| SCHEMBL9457196 | 0.90 | MAPK1 (0.55) | — | |
| SCHEMBL787631 | 0.90 | MAPK1 (0.55) | — | |
| Boric Acid SCHEMBL2466771 | 0.87 | SMN1; SMN2 (0.52) | — | |
| Bromobenzene SCHEMBL9228499 | 0.87 | ALDH1A1 (0.65) | — |
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 |