SCHEMBL18476298

SCHEMBL18476298

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OC(O)C(=C)C)c(F)c2)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ FFAR4 Q5NUL3 15/20 0.37
▸ MCL1 Q07820 1/20 0.33
▸ FFAR1 O14842 3/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL16559840 0.89 POLB (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL22845690 0.88 POLB (0.41) POLBAPEX1HTTTDP1FFAR4
SCHEMBL25795370 0.87 POLB (0.37) POLBAPEX1HTTTDP1FFAR4
SCHEMBL18509368 0.87 THRB (0.35) POLBAPEX1HTTTDP1FFAR4
SCHEMBL17538614 0.86 POLB (0.43) POLBAPEX1HTTTDP1FFAR4
SCHEMBL25945144 0.85 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19158978 0.85 FFAR1 (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL22023580 0.84 POLB (0.37) POLBAPEX1HTTTDP1FFAR4
SCHEMBL20275212 0.84 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL16573113 0.84 POLB (0.45) POLBAPEX1HTTTDP1FFAR4

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
EP-3263673-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-10-02 — — EP disclosed
WO-2017020998-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 — — WO disclosed
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