⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7523176 | 0.78 | PTPN1 (0.46) | — | |
| SCHEMBL13479795 | 0.69 | MAPK1 (0.38) | — | |
| SCHEMBL27752785 | 0.65 | MAPT (0.49) | — | |
| SCHEMBL3831246 | 0.64 | TTR (0.37) | — | |
| SCHEMBL4125691 | 0.63 | CA12 (0.41) | — | |
| SCHEMBL29049264 | 0.62 | CA12 (0.48) | — | |
| SCHEMBL8380519 | 0.62 | CA1 (0.48) | — | |
| SCHEMBL5475366 | 0.62 | CYP3A4 (0.40) | — | |
| SCHEMBL10397854 | 0.62 | ALDH1A1 (0.42) | — | |
| SCHEMBL28121355 | 0.61 | ALDH1A1 (0.48) | — |
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-1186305-A1 | New brominated compounds as contrast media for X-ray mammography | Schering Aktiengesellschaft (DE) | 2002-03-13 | — | — | EP | claimed |
| EP-1186305-A1 | New brominated compounds as contrast media for X-ray mammography | Schering Aktiengesellschaft (DE) | 2002-03-13 | — | — | EP | disclosed |