SCHEMBL7589652

SCHEMBL7589652

CC(=O)OCC(Cc1c(I)c(N(OC(C)=O)C(C)=O)c(I)c(N(OC(C)=O)C(C)=O)c1I)OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
AR P10275 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
SCHEMBL7595758 0.85 TDP1 (0.34) TDP1AR
SCHEMBL7596489 0.77
SCHEMBL7592825 0.76
SCHEMBL7594178 0.75 TDP1 (0.37) TDP1AR
SCHEMBL7986009 0.74 TDP1 (0.36) TDP1AR
SCHEMBL7591396 0.70 ALDH1A1 (0.32)
SCHEMBL7595750 0.69 TDP1 (0.32) TDP1AR
SCHEMBL7589643 0.69 SMN1; SMN2 (0.38) TDP1AR
SCHEMBL7590263 0.68 TDP1 (0.31) TDP1AR
Triacetin SCHEMBL3870 0.66 TDP1 (0.56) TDP1AR

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
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