⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3280773 | 0.81 | — | — | |
| SCHEMBL10245374 | 0.80 | — | — | |
| Water SCHEMBL20657274 | 0.79 | — | — | |
| SCHEMBL171430 | 0.73 | — | — | |
| SCHEMBL13174433 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL470955 | 0.71 | — | — | |
| SCHEMBL15056892 | 0.70 | EPHX1 (0.40) | — | |
| SCHEMBL148461 | 0.69 | — | — | |
| SCHEMBL331659 | 0.69 | — | — | |
| SCHEMBL28098883 | 0.69 | ALDH1A1 (0.33) | — |
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-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 |