SCHEMBL7201113

SCHEMBL7201113

NCC(=O)N(CCO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
MAP2K1 Q02750 3/20 0.31
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL7986119 0.96 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL9745016 0.90 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL24711 0.90 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9009203 0.89 CYP2C19 (0.73) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7795950 0.88 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL5033214 0.88 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8438095 0.88 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736495 0.88 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9196493 0.87 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9234116 0.87 LMNA (0.60) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083964-B1 COMPOUNDS SUITABLE FOR X-RAY VISUALISATION METHODS Mallinckrodt, Inc. (a Delaware corporation) (US) 1986-04-16 EP claimed
US-4396598-A Triiodoisophthalamide X-ray contrast agent MALLINCKRODT, INC. (US) 1983-08-02 US claimed
EP-0083964-A1 Compounds suitable for X-ray visualisation methods Mallinckrodt, Inc. (a Delaware corporation) (US) 1983-07-20 EP claimed
US-6596904-B1 Process for producing ioversol MALLINC KRODT INC 2003-07-22 US disclosed
EP-0839056-B1 PROCESS FOR PRODUCING IOVERSOL MALLINCKRODT INC (US) 2003-05-07 EP disclosed
EP-0886634-B1 PROCESS FOR PRODUCING IOVERSOL MALLINCKRODT INC (US) 2002-04-24 EP disclosed
US-5648536-A Process for producing ioversol LAFAYETTE PHARMACEUTICALS LLC 1997-07-15 US disclosed
EP-0513063-B1 PROCESS FOR PRODUCTION OF IOVERSOL MALLINCKRODT INC (US) 1995-05-17 EP disclosed
EP-0619744-A4 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS. MALLINCKRODT MEDICAL INC (US) 1995-02-08 EP disclosed
US-5371278-A Increasing reaction solution concentration and temperature MALLINCKRODT MEDICAL PMC (US) 1994-12-06 US disclosed
EP-0619744-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1994-10-19 EP disclosed
WO-1991011431-A1 PROCESS FOR PRODUCTION OF IOVERSOL MALLINCKRODT, INC. (US) 1991-08-08 WO disclosed
WO-1991011431-A1 PROCESS FOR PRODUCTION OF IOVERSOL MALLINCKRODT, INC. (US) 1991-08-08 WO disclosed
WO-1991009007-A2 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1991-06-27 WO disclosed
US-4997983-A Process for production of ioversol MALLINCKRODT, INC. (US) 1991-03-05 US disclosed
EP-0083964-B1 COMPOUNDS SUITABLE FOR X-RAY VISUALISATION METHODS Mallinckrodt, Inc. (a Delaware corporation) (US) 1986-04-16 EP disclosed
US-4396598-A Triiodoisophthalamide X-ray contrast agent MALLINCKRODT, INC. (US) 1983-08-02 US disclosed
US-4396598-A Triiodoisophthalamide X-ray contrast agent MALLINCKRODT, INC. (US) 1983-08-02 US disclosed
EP-0083964-A1 Compounds suitable for X-ray visualisation methods Mallinckrodt, Inc. (a Delaware corporation) (US) 1983-07-20 EP disclosed
EP-0083964-A1 Compounds suitable for X-ray visualisation methods Mallinckrodt, Inc. (a Delaware corporation) (US) 1983-07-20 EP disclosed