SCHEMBL9312017

SCHEMBL9312017

C=CC(=O)OCC(F)C(F)C(F)C(F)CF

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 2/20 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
SCHEMBL29209500 0.98 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28765878 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15608538 0.89 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9304300 0.88 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6065222 0.87 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17159425 0.87 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28585680 0.87 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9317310 0.84 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21581915 0.83 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27697752 0.83 TSHR (0.43) 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
US-5336582-A Electrophotographic image formation comprising an arylamine in a charge transport layer and an encapsulated toner FUJI XEROX CO., LTD. (JP) 1994-08-09 US disclosed