⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2338138 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL8124602 | 0.80 | SLC6A3 (0.35) | — | |
| SCHEMBL28712291 | 0.79 | KMT2A (0.34) | — | |
| SCHEMBL11075807 | 0.74 | CACNA1C (0.31) | — | |
| SCHEMBL31007075 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL10879163 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL11526203 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL2655344 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL30015183 | 0.69 | CTSD (0.32) | — | |
| SCHEMBL9957230 | 0.68 | TSHR (0.34) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6448442-B1 | X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS | AMERSHAM HEALTH AS (NO) | 2002-09-10 | — | — | US | disclosed |
| US-6310243-B1 | BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY | NYCOMED IMAGING AS (NO) | 2001-10-30 | — | — | US | disclosed |
| US-5993780-A | A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE | NYCOMED IMAGING AS (NO) | 1999-11-30 | — | — | US | disclosed |
| US-5958376-A | Iodinated X-ray contrast media | NYCOMED IMAGING AS (NO) | 1999-09-28 | — | — | US | disclosed |
| US-5958375-A | Urea-linked, iodinated bis phenyl compounds for X-ray contrast media | NYCOMED IMAGING AS (NO) | 1999-09-28 | — | — | US | disclosed |
| EP-0782565-B1 | IODINATED X-RAY-CONTRAST MEDIA | NYCOMED IMAGING AS (NO) | 1999-04-07 | — | — | EP | disclosed |
| US-5882628-A | Contrast media | NYCOMED IMAGING AS (NO) | 1999-03-16 | — | — | US | disclosed |
| EP-0782565-A1 | IODINATED X-RAY-CONTRAST MEDIA | NYCOMED IMAGING AS (NO) | 1997-07-09 | — | — | EP | disclosed |
| EP-0782564-A1 | IODINATED X-RAY CONTRAST MEDIA | NYCOMED IMAGING AS (NO) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009285-A1 | IODINATED X-RAY-CONTRAST MEDIA | NYCOMED IMAGING AS (NO) | 1996-03-28 | — | — | WO | disclosed |
| WO-1996009282-A1 | IODINATED X-RAY CONTRAST MEDIA | NYCOMED IMAGING A/S (NO) | 1996-03-28 | — | — | WO | disclosed |