SCHEMBL6251797

SCHEMBL6251797

CC(=O)OC(C(N)=O)c1c(I)c(N)c(I)c(N)c1I

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6247811 0.69
SCHEMBL7593765 0.66 LMNA (0.40)
SCHEMBL17276067 0.63 ALDH1A1 (0.66) TSHRALDH1A1CYP3A4
SCHEMBL13747686 0.63 ALDH1A1 (0.66) TSHRALDH1A1CYP3A4
SCHEMBL6708033 0.63 ALDH1A1 (0.66) TSHRALDH1A1CYP3A4
SCHEMBL11126462 0.62 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4
SCHEMBL10881983 0.61 LMNA (0.33) TSHRALDH1A1
SCHEMBL25439358 0.61 CYP1A2 (0.46) TSHRALDH1A1CYP3A4
SCHEMBL11531170 0.61 BRD4 (0.46) TSHRALDH1A1CYP3A4
SCHEMBL22991694 0.61 HSD17B10 (0.33) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175392-B1 CONTRAST MEDIA AMERSHAM HEALTH AS (NO) 2005-06-22 EP disclosed
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
EP-1175392-A1 CONTRAST MEDIA NYCOMED IMAGING AS (NO) 2002-01-30 EP disclosed
WO-2000066544-A1 CONTRAST MEDIA NYCOMED IMAGING AS (NO) 2000-11-09 WO disclosed