SCHEMBL25875299

SCHEMBL25875299

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(oc4c(F)c(OC(=O)C(=C)C)ccc43)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

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
MPL P40238 7/20 0.32
TSHR P16473 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RARB P10826 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
SCHEMBL25875559 0.93 MPL (0.34) POLBAPEX1HTTTDP1MPL
SCHEMBL25875375 0.93 MPL (0.32) POLBAPEX1HTTTDP1MPL
SCHEMBL25875986 0.92 MAOA (0.35) POLBAPEX1HTTTDP1MPL
SCHEMBL25875379 0.92 MAOA (0.33) POLBAPEX1HTTTDP1
SCHEMBL25875449 0.91 NR1H2 (0.34) POLBAPEX1HTTTDP1NR1H2
SCHEMBL25876386 0.91 NR1H3 (0.36) POLBAPEX1HTTTDP1NR1H2
SCHEMBL25906350 0.91 MPL (0.32) POLBAPEX1HTTTDP1MPL
SCHEMBL25876705 0.89 NR1H2 (0.32) MPLNR1H2NR1H3
SCHEMBL25875456 0.89 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL25875294 0.87 MMP12 (0.34) 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-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
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