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SCHEMBL20428196

SCHEMBL20428196

C=C(C)C(=O)OCCOc1cc(F)c(-c2ccc(OC(O)C(=C)C)cc2)cc1OCCOC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

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 16/20 0.34
▸ FFAR1 O14842 4/20 0.34
▸ S1PR1 P21453 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
SCHEMBL19497251 0.96 POLB (0.35) POLBAPEX1HTTTDP1FFAR4
SCHEMBL20252387 0.90 POLB (0.35) POLBAPEX1HTTTDP1FFAR4
SCHEMBL18473137 0.89 POLB (0.34) POLBAPEX1HTTTDP1FFAR4
SCHEMBL21841985 0.89 POLB (0.34) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19497305 0.89 POLB (0.34) POLBAPEX1HTTTDP1FFAR4
SCHEMBL20275212 0.88 POLB (0.36) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19497312 0.87 BACE1 (0.45) POLBAPEX1HTTTDP1FFAR4
SCHEMBL15495194 0.87 POLB (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL22592264 0.86 POLB (0.39) POLBAPEX1HTTTDP1
SCHEMBL19559099 0.86 POLB (0.39) POLBAPEX1HTTTDP1

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-3663378-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-06-10 — — EP disclosed
EP-2957618-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-01 — — EP disclosed
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