⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1829137 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL11458249 | 0.74 | CPB2 (0.35) | — | |
| SCHEMBL11308729 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL569124 | 0.69 | — | — | |
| SCHEMBL7265624 | 0.69 | — | — | |
| SCHEMBL501721 | 0.67 | — | — | |
| SCHEMBL5385812 | 0.67 | — | — | |
| SCHEMBL8040814 | 0.67 | — | — | |
| SCHEMBL8029141 | 0.67 | — | — | |
| SCHEMBL7627830 | 0.67 | — | — |
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-0022056-B1 | DIMERS OF TRI-IODATED ISOPHTHALIC ACID DIAMIDES, THEIR PREPARATION, X-RAY CONTRAST AGENT CONTAINING THEM, AND DIMER OF TRI-IODATED ISOPHTHALIC ACID CHLORIDE | SCHERING AKTIENGESELLSCHAFT (DE) | 1983-06-29 | — | — | EP | disclosed |
| EP-0022056-A2 | Dimers of tri-iodated isophthalic acid diamides, their preparation, X-ray contrast agent containing them, and dimer of tri-iodated isophthalic acid chloride | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-01-07 | — | — | EP | disclosed |