⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9820511 | 0.70 | — | — | |
| SCHEMBL10632090 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL7875877 | 0.67 | — | — | |
| SCHEMBL9814065 | 0.67 | — | — | |
| SCHEMBL1063914 | 0.65 | — | — | |
| SCHEMBL4641817 | 0.65 | — | — | |
| SCHEMBL16969809 | 0.63 | — | — | |
| SCHEMBL16969623 | 0.63 | — | — | |
| SCHEMBL5820934 | 0.62 | — | — | |
| SCHEMBL3144100 | 0.62 | TP53 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0120583-B1 | PERFLUOROBROMOALKYL ETHERS FOR USE AS X-RAY CONTRAST AGENTS | ADAMANTECH, INC. (US) | 1987-08-12 | — | — | EP | disclosed |
| US-4640833-A | Use of perfluorobromoalkyl ethers as X-ray contrast agents | ADAMANTECH, INC. (US) | 1987-02-03 | — | — | US | disclosed |