⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1361288 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL1359901 | 0.78 | — | — | |
| SCHEMBL4833943 | 0.75 | POLB (0.35) | — | |
| SCHEMBL9614722 | 0.74 | — | — | |
| SCHEMBL711756 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL6563535 | 0.73 | POLB (0.33) | — | |
| SCHEMBL710902 | 0.72 | — | — | |
| SCHEMBL9563941 | 0.71 | POLB (0.35) | — | |
| SCHEMBL10305680 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL4588540 | 0.70 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0484328-B1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS | MALLINCKRODT INC (US) | 1995-06-14 | — | — | EP | claimed |
| EP-0484328-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. | MALLINCKRODT INC (US) | 1992-05-13 | — | — | EP | claimed |
| US-5013865-A | X-ray contrast media, controlled stoichiometry and kinetics | MALLINCKRODT, INC. (US) | 1991-05-07 | — | — | US | claimed |
| WO-1991001296-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS | MALLINCKRODT, INC. (US) | 1991-02-07 | — | — | WO | claimed |
| EP-0484328-B1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS | MALLINCKRODT INC (US) | 1995-06-14 | — | — | EP | disclosed |
| EP-0484328-B1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS | MALLINCKRODT INC (US) | 1995-06-14 | — | — | EP | disclosed |
| EP-0484328-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. | MALLINCKRODT INC (US) | 1992-05-13 | — | — | EP | disclosed |
| EP-0484328-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. | MALLINCKRODT INC (US) | 1992-05-13 | — | — | EP | disclosed |
| US-5013865-A | X-ray contrast media, controlled stoichiometry and kinetics | MALLINCKRODT, INC. (US) | 1991-05-07 | — | — | US | disclosed |
| US-5013865-A | X-ray contrast media, controlled stoichiometry and kinetics | MALLINCKRODT, INC. (US) | 1991-05-07 | — | — | US | disclosed |
| WO-1991001296-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS | MALLINCKRODT, INC. (US) | 1991-02-07 | — | — | WO | disclosed |
| WO-1991001296-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS | MALLINCKRODT, INC. (US) | 1991-02-07 | — | — | WO | disclosed |