SCHEMBL18746212

SCHEMBL18746212

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
TSHR P16473 7/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10067025 0.89 TSHR (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8965587 0.88 TSHR (0.50) THRBTSHRHPGDALDH1A1TP53
SCHEMBL23334173 0.87 THRB (0.47) THRBTSHRHPGDALDH1A1TP53
SCHEMBL20060321 0.85 ALDH1A1 (0.47) THRBTSHRHPGDALDH1A1TP53
SCHEMBL20696479 0.84 TSHR (0.53) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19201572 0.81 TSHR (0.52) THRBTSHRHPGDALDH1A1TP53
SCHEMBL15495149 0.81 TSHR (0.52) THRBTSHRHPGDALDH1A1TP53
SCHEMBL22563728 0.81 ALDH1A1 (0.53) THRBTSHRHPGDALDH1A1TP53
SCHEMBL22418021 0.81 ALDH1A1 (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL12330928 0.80 THRB (0.63) THRBTSHRHPGDALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210175584-A1 SEPARATOR FOR SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING SAME LG CHEM, LTD. (KR) 2021-06-10 US disclosed
US-20210175583-A1 SEPARATOR FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING SAME LG CHEM, LTD. (KR) 2021-06-10 US disclosed
US-10472446-B2 Composition, resin mold, photo imprinting method, method for manufacturing optical element, and method for manufacturing electronic element TOYO GOSEI CO., LTD. (JP) 2019-11-12 US disclosed
US-20190031558-A1 METHOD OF MANUFACTURING AN ETCHED GLASS ARTICLE AGFA-GEVAERT NV (BE) 2019-01-31 US disclosed
US-9623145-B2 Thiol-ene polymerization with vinylesters and vinylcarbonate DePuy Synthes Products, Inc. (US) 2017-04-18 US disclosed