SCHEMBL25854665

SCHEMBL25854665

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(sc4cc(OC(=O)C(=C)C)ccc43)c2C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL25854443 0.90 POLB (0.35) POLBAPEX1HTTTDP1ESR1
SCHEMBL25854670 0.89 POLB (0.32) POLBAPEX1HTTTDP1ESR1
SCHEMBL25854567 0.88 POLB (0.35) POLBAPEX1HTTTDP1ESR1
SCHEMBL25854662 0.87 ELANE (0.36) ESR1
SCHEMBL25854572 0.87 ESR1 (0.36) POLBAPEX1HTTTDP1ESR1
SCHEMBL25856103 0.87 NR1H2 (0.34) POLBAPEX1HTTTDP1
SCHEMBL25853303 0.86 POLB (0.36) POLBAPEX1HTTTDP1
SCHEMBL25855864 0.85 NR1H2 (0.33) POLBAPEX1HTTTDP1
SCHEMBL25854663 0.84 THRB (0.38) ESR1ESR2
SCHEMBL25854946 0.84 NR1H2 (0.31) POLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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