SCHEMBL25853308

SCHEMBL25853308

C=C(C)C(=O)OCCCc1ccc2c(sc3cc(OC(=O)C(=C)C)ccc32)c1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DYRK1A Q13627 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL25853237 0.89 HTT (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL25853303 0.88 POLB (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL25853139 0.87 POLB (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL25854670 0.86 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL25853229 0.85 HTT (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL25854315 0.85 POLB (0.34) POLBAPEX1HTTTDP1TSHR
SCHEMBL25853306 0.83 DYRK1A (0.35) HTTDYRK1ATSHR
SCHEMBL25867988 0.83 THRB (0.33) TSHR
SCHEMBL25853713 0.83 POLB (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL25853532 0.83 POLB (0.32) POLBAPEX1HTTTDP1TSHR

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