SCHEMBL25874702

SCHEMBL25874702

C=CC(=O)Oc1ccc2c(oc3c(C(F)(F)F)c(OC(=O)C=C)ccc32)c1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL25874884 0.93 TYMS (0.38) TYMSTHRATHRB
SCHEMBL25874690 0.90 TYMS (0.39) TYMSTHRATHRB
SCHEMBL25874476 0.88 MAOA (0.37) TYMSTHRATHRB
SCHEMBL25876793 0.87 ADORA3 (0.34) TYMSTHRB
SCHEMBL25876567 0.87 ABL1 (0.33) TYMSTHRB
SCHEMBL25874031 0.87 TYMS (0.34) TYMSTHRATHRB
SCHEMBL25874544 0.87 ALDH1A1 (0.37) TYMSTHRATHRB
SCHEMBL25874327 0.86 KDM4E (0.36) TYMSTHRATHRB
SCHEMBL25874023 0.84 TYMS (0.36) TYMS
SCHEMBL25874705 0.83 ALDH1A1 (0.32)

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