SCHEMBL3264144

SCHEMBL3264144

C=CC(=O)OO.C=CC(=O)OOOC(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
FGFR4 P22455 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
SCHEMBL26479 0.89 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8958344 0.86 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7138892 0.86 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
Bromide SCHEMBL10699735 0.86 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL16555949 0.86 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22319173 0.86 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL83524 0.86
SCHEMBL31325799 0.86 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30854892 0.86 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrazine SCHEMBL9436989 0.83 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622972-B1 FLAME RETARDANT THERMOSET RESINS AND METHODS OF MAKING THE SAME LUNA INNOVATIONS INC (US) 2010-01-06 EP claimed