⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22472838 | 0.76 | — | — | |
| SCHEMBL20277897 | 0.71 | — | — | |
| SCHEMBL19361201 | 0.64 | — | — | |
| SCHEMBL15426959 | 0.64 | — | — | |
| SCHEMBL13888575 | 0.64 | — | — | |
| SCHEMBL24037448 | 0.63 | — | — | |
| SCHEMBL12670854 | 0.63 | — | — | |
| SCHEMBL19881212 | 0.62 | — | — | |
| SCHEMBL22210604 | 0.59 | — | — | |
| SCHEMBL21393990 | 0.58 | — | — |
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-20170036980-A1 | COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2017-02-09 | — | — | US | disclosed |