SCHEMBL10175668

SCHEMBL10175668

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL10226356 0.83 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21091060 0.80 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL798980 0.80 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL26399776 0.79 TDP1 (0.36) TSHRALDH1A1SMN1; SMN2HSD17B10TDP1
SCHEMBL25963022 0.79 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2608065 0.77 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL20100489 0.77 TSHR (0.34) TSHR
SCHEMBL12922583 0.76 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21158792 0.76 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20100409 0.75 TSHR (0.30) TSHR

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-8642244-B2 Resist composition for immersion exposure, method of forming resist pattern using the same, and fluorine-containing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2014-02-04 US disclosed
US-8501387-B2 2013-08-06 US disclosed
US-20120077125-A1 RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN USING THE SAME, AND FLUORINE-CONTAINING COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-03-29 US disclosed