SCHEMBL25876289

SCHEMBL25876289

C=CC(=O)OCCCc1ccc(-c2ccc3c(oc4c(OC)c(OC(=O)C=C)ccc43)c2OC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
THRB P10828 2/20 0.34
MET P08581 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALOX5 P09917 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
SCHEMBL25876791 0.97 THRB (0.34) AKR1B10AKR1B1THRBMETFFAR4
SCHEMBL25876854 0.95 THRB (0.34) AKR1B10AKR1B1THRB
SCHEMBL25876146 0.92 THRB (0.38) AKR1B10AKR1B1THRBMETALOX5
SCHEMBL25875839 0.92 THRB (0.34) AKR1B10AKR1B1THRB
SCHEMBL25875454 0.91 THRB (0.32) THRB
SCHEMBL25876152 0.90 THRB (0.34) AKR1B10AKR1B1THRBMETALOX5
SCHEMBL25876708 0.90 THRB (0.34) THRB
SCHEMBL25876569 0.90 THRB (0.32) THRB
SCHEMBL25876702 0.89 THRB (0.32) THRB
SCHEMBL25875984 0.89 THRB (0.35) AKR1B10AKR1B1THRBMETALOX5

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-2023134594-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
WO-2023134595-A1 POLYMERIZABLE 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