SCHEMBL25945144

SCHEMBL25945144

C=C(C)CC(=O)Oc1ccc(-c2ccc(OCCOC(=O)C(=C)C)cc2OCCOC(=O)C(=C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FFAR4 Q5NUL3 11/20 0.35
▸ FAAH O00519 2/20 0.34
▸ FFAR1 O14842 4/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ MCL1 Q07820 1/20 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 0.92 POLB (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL22023580 0.89 POLB (0.37) POLBAPEX1HTTTDP1FFAR4
SCHEMBL17538614 0.89 POLB (0.43) POLBAPEX1HTTTDP1FFAR4
SCHEMBL20275179 0.89 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19158978 0.88 FFAR1 (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL16573113 0.87 POLB (0.45) POLBAPEX1HTTTDP1FFAR4
SCHEMBL20275159 0.86 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL23350596 0.86 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL21675468 0.86 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL18476298 0.85 POLB (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 — — EP disclosed
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