⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28808917 | 0.93 | FDPS (0.43) | — | |
| SCHEMBL139887 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27514834 | 0.89 | — | — | |
| SCHEMBL27981964 | 0.89 | — | — | |
| SCHEMBL27794848 | 0.89 | — | — | |
| SCHEMBL8492465 | 0.89 | — | — | |
| Alcohol SCHEMBL855392 | 0.86 | ALDH1A1 (0.43) | — | |
| Propanol SCHEMBL854933 | 0.83 | FDPS (0.38) | — | |
| Ethylene SCHEMBL28123588 | 0.83 | FDPS (0.38) | — | |
| SCHEMBL27633729 | 0.78 | FDPS (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648203-B1 | NOVEL POLYIODINATED COMPOUNDS, PREPARATION THEREOF AND USE THEREOF AS RADIOLOGICAL CONTRAST AGENTS | GUERBET SA (FR) | 1998-11-18 | — | — | EP | disclosed |
| US-5817873-A | Polyiodinated compounds, their preparation and their use as contrast media for radiology | GUERBET S.A. (FR) | 1998-10-06 | — | — | US | disclosed |
| US-5609851-A | Compounds which can be used in contrast products for radiography | GUERBET S A. (FR) | 1997-03-11 | — | — | US | disclosed |
| CN-1079957-A | The compound that can be used for the radiography control product | GUERBET SA (FR) | 1993-12-29 | — | — | CN | disclosed |