SCHEMBL13169043

SCHEMBL13169043

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.46
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18596153 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL676520 0.82 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22783492 0.81 TSHR (0.62) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17466589 0.80 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21242412 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2759322 0.80 ALDH1A1 (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20083275 0.79 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1532920 0.79 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1286178 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11792800 0.78 TSHR (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303649-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION FOR OPTICAL MATERIAL, CURED PRODUCT, AND PRODUCTION METHOD KANEKA CORPORATION (JP) 2013-11-14 US disclosed
US-8389630-B2 Curable composition KANEKA CORPORATION (JP) 2013-03-05 US disclosed
US-20100222446-A1 CURABLE COMPOSITION FOR BOTH PHOTORADICAL CURING AND THERMAL RADICAL CURING KANEKA CORPORATION (JP) 2010-09-02 US disclosed