⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5680558 | 0.57 | — | — | |
| SCHEMBL12738373 | 0.53 | — | — | |
| SCHEMBL17751201 | 0.52 | — | — | |
| SCHEMBL12524748 | 0.52 | — | — | |
| SCHEMBL12527734 | 0.50 | — | — | |
| Ethylamine SCHEMBL30305757 | 0.49 | — | — | |
| SCHEMBL11264365 | 0.47 | — | — | |
| Ethylamine SCHEMBL10976847 | 0.46 | — | — | |
| Ethylenediamine SCHEMBL28696966 | 0.46 | — | — | |
| Ethylenediamine SCHEMBL27284866 | 0.46 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968173-B1 | PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR | AMERSHAM HEALTH AS (NO) | 2003-04-16 | — | — | EP | disclosed |
| US-6153771-A | 5-SUBSTITUTED ISOPHTHALIC ACID BIS(ALLYLAMIDE) OR CORRESPONDING EPOXIDE OF THE ALLYL GROUPS; INTERMEDIATE FOR IOHEXOL | NYCOMED IMAGING AS (NO) | 2000-11-28 | — | — | US | disclosed |
| EP-0968173-A1 | PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR | NYCOMED IMAGING AS (NO) | 2000-01-05 | — | — | EP | disclosed |
| US-5824821-A | EPOXIDATION OF ALLYLAMINO COMPOUND, HYDROLYSIS TO YIELD 2,3-DIHYDROXYPROPYLAMINO COMPOUNDS | NYCOMED IMAGING AS (NO) | 1998-10-20 | — | — | US | disclosed |
| WO-1998034905-A1 | PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR | NYCOMED IMAGING AS (NO) | 1998-08-13 | — | — | WO | disclosed |