⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7130976 | 0.92 | — | — | |
| SCHEMBL7132218 | 0.83 | — | — | |
| SCHEMBL7128358 | 0.82 | LMNA (0.38) | — | |
| SCHEMBL7129189 | 0.79 | LMNA (0.32) | — | |
| SCHEMBL7128891 | 0.77 | LMNA (0.39) | — | |
| SCHEMBL7254782 | 0.73 | CA2 (0.33) | — | |
| SCHEMBL7133275 | 0.72 | LMNA (0.34) | — | |
| SCHEMBL7134664 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL7254504 | 0.68 | — | — | |
| SCHEMBL9976314 | 0.67 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030236407-A1 | Perfluoroalkyl group-containing micelle-forming triiodoaromatic compounds, process for their production and their use as contrast media | SCHERING AG (DE) | 2003-12-25 | — | — | US | disclosed |
| WO-2003072560-A1 | TRIIODINE AROMATICS CONTAINING PERFLUOROALKYL GROUPS AND FORMING MICELLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS CONTRAST MEDIA | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-09-04 | — | — | WO | disclosed |