SCHEMBL25795370

SCHEMBL25795370

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)C)cc(-c2ccc(OC(O)C(=C)C)c(F)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

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 9/20 0.35
▸ THRB P10828 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ AAK1 Q2M2I8 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CSF3R Q99062 1/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ FFAR1 O14842 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
SCHEMBL18820263 0.93 POLB (0.33) POLBAPEX1HTTTDP1FFAR4
SCHEMBL18509368 0.89 THRB (0.35) POLBAPEX1HTTTDP1FFAR4
SCHEMBL21087449 0.89 POLB (0.35) POLBAPEX1HTTTDP1FFAR4
SCHEMBL22842235 0.88 POLB (0.35) POLBAPEX1HTTTDP1FFAR4
SCHEMBL27423567 0.88 POLB (0.38) POLBAPEX1HTTTDP1FFAR4
SCHEMBL18476298 0.87 POLB (0.37) POLBAPEX1HTTTDP1FFAR4
SCHEMBL16559830 0.87 POLB (0.41) POLBAPEX1HTTTDP1FFAR4
SCHEMBL16559845 0.86 POLB (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL23919400 0.86 POLB (0.33) POLBAPEX1HTTTDP1FFAR4
SCHEMBL16559831 0.85 POLB (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209567-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 — — EP disclosed
EP-4209566-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 — — EP disclosed
EP-4209568-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 — — EP disclosed
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