SCHEMBL25854669

SCHEMBL25854669

C=CC(=O)OCCCc1ccc(-c2ccc3c(sc4cc(OC(=O)C=C)ccc43)c2OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.37
ESR1 P03372 3/20 0.33
FFAR4 Q5NUL3 4/20 0.31
FFAR1 O14842 3/20 0.31
CYP2C9 P11712 1/20 0.30
SCN5A Q14524 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL25854663 0.89 THRB (0.38) THRBESR1FFAR4FFAR1ESR2
SCHEMBL25854571 0.89 THRB (0.41) THRBESR1ESR2
SCHEMBL25854441 0.88 THRB (0.40) THRBESR1FFAR4FFAR1ESR2
SCHEMBL25854666 0.88 ESR1 (0.38) THRBESR1FFAR4FFAR1CYP2C9
SCHEMBL25856376 0.87 THRB (0.34) THRB
SCHEMBL25854566 0.86 THRB (0.42) THRBESR1FFAR4FFAR1ESR2
SCHEMBL25867988 0.86 THRB (0.33) THRBESR1
SCHEMBL25856163 0.85 THRB (0.33) THRBESR1
SCHEMBL25854670 0.85 POLB (0.32) ESR1FFAR4FFAR1ESR2
SCHEMBL25855036 0.84 THRB (0.33) THRB

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