SCHEMBL7108841

SCHEMBL7108841

CC(=O)OCC(COC(C)=O)N(C(=O)c1c(I)c(N)c(I)c(C(N)=O)c1I)C(COC(C)=O)COC(C)=O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30397862 0.79
SCHEMBL9191039 0.79 TDP1 (0.35)
SCHEMBL8743496 0.78 AR (0.31)
SCHEMBL8741753 0.75
SCHEMBL28835487 0.71 TDP1 (0.33)
SCHEMBL9191053 0.71
SCHEMBL4833943 0.71 POLB (0.35)
SCHEMBL28880448 0.70 LMNA (0.36)
SCHEMBL4830946 0.70 LMNA (0.40)
SCHEMBL9614722 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353899-A1 A PROCESS FOR THE PREPARATION OF IOPAMIDOL AND THE NEW INTERMEDIATES THEREIN Bracco Imaging S.p.A. (IT) 2003-10-22 EP disclosed
WO-2002044132-A1 A PROCESS FOR THE PREPARATION OF IOPAMIDOL AND THE NEW INTERMEDIATES THEREIN BRACCO IMAGING S.P.A. (IT) 2002-06-06 WO disclosed
EP-0516050-A2 Methods and compositions for using non-ionic contrast agents to reduce the risk of clot formation in diagnostic procedures BRACCO INTERNATIONAL B.V. (NL) 1992-12-02 EP disclosed