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SCHEMBL12855752

SCHEMBL12855752

CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)COO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.84
▸ CYP2C19 P33261 1/20 0.80
▸ HIF1A Q16665 1/20 0.80
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Iodixanol SCHEMBL8845042 0.92 LMNA (1.00) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL21546 0.92 LMNA (1.00) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL37712 0.92 LMNA (1.00) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12855754 0.91 LMNA (0.84) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12855756 0.91 LMNA (0.84) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL22645199 0.91 LMNA (0.97) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL31722694 0.90 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL37920 0.90 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL26501 0.90 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL8844889 0.90 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279998-A1 Synthesis of iodixanol in propyleneglycol GE Healthcare AS (NO) 2011-02-02 — — EP disclosed
EP-2277853-A1 Synthesis of iodixanol in methanol GE Healthcare AS (NO) 2011-01-26 — — EP disclosed