SCHEMBL25853137

SCHEMBL25853137

C=CC(=O)OCCCc1ccc2c(sc3cc(OC(=O)C=C)ccc32)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.36
TSHR P16473 4/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
THRA P10827 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL25853145 0.88 TSHR (0.37) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25853302 0.87 THRB (0.34) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25853235 0.87 TSHR (0.36) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25867988 0.86 THRB (0.33) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25854441 0.85 THRB (0.40) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25853368 0.84 THRB (0.38) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25853139 0.82 POLB (0.38) THRBTSHR
SCHEMBL25853774 0.80 THRB (0.38) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25853591 0.80 THRB (0.38) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25867806 0.80 THRB (0.46) THRBTSHRHPGDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134598-A1 POLYMERISABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed
WO-2023134596-A1 NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed