SCHEMBL25856163

SCHEMBL25856163

C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)sc2c(OC(F)(F)F)c(OC(=O)C=C)ccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
ESR1 P03372 2/20 0.31
MCL1 Q07820 1/20 0.31
SLC13A5 Q86YT5 1/20 0.31
MET P08581 2/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 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
SCHEMBL25854082 0.93 THRB (0.33) THRBMETAKR1B10AKR1B1
SCHEMBL25855863 0.89 THRB (0.34) THRBMCL1METAKR1B10AKR1B1
SCHEMBL25855451 0.88 MET (0.37) THRBESR1MCL1METAKR1B10
SCHEMBL25856376 0.88 THRB (0.34) THRBMET
SCHEMBL25869383 0.87 THRB (0.35) THRBESR1MCL1METAKR1B10
SCHEMBL25856161 0.86 ESR1 (0.39) THRBESR1
SCHEMBL25856222 0.86 THRB (0.33) THRB
SCHEMBL25855041 0.85 THRB (0.38) THRBESR1MCL1METAKR1B10
SCHEMBL25854669 0.85 THRB (0.37) THRBESR1
SCHEMBL25856319 0.84 THRB (0.34) THRBMETAKR1B10AKR1B1

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