⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5690713 | 1.00 | — | — | |
| SCHEMBL5690823 | 0.80 | — | — | |
| SCHEMBL5690824 | 0.80 | — | — | |
| SCHEMBL203193 | 0.73 | — | — | |
| SCHEMBL10339807 | 0.67 | — | — | |
| SCHEMBL19768697 | 0.65 | — | — | |
| SCHEMBL21925062 | 0.65 | — | — | |
| SCHEMBL15938 | 0.60 | — | — | |
| SCHEMBL8522991 | 0.60 | — | — | |
| SCHEMBL888166 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1084712-B1 | X-ray contrast agents | AMERSHAM HEALTH AS (NO) | 2006-03-22 | — | — | EP | disclosed |
| US-6406680-B1 | IODINE CONTAINING OLEFINS AS CONTRAST AGENTS | NYCOMED IMAGING AS (NO) | 2002-06-18 | — | — | US | disclosed |
| EP-1084712-A2 | X-ray contrast agents | NYCOMED IMAGING AS (NO) | 2001-03-21 | — | — | EP | disclosed |