SCHEMBL20172040

SCHEMBL20172040

C=C(C)C(=O)OCC(=O)OC(c1ccc(-c2ccc(OC=O)cc2)cc1)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL18806035 0.88 ELANE (0.38) MAPTPOLBAPEX1HTTTDP1
SCHEMBL26000466 0.88 ACACB (0.31) —
SCHEMBL21886004 0.79 ELANE (0.38) MAPTPOLBAPEX1HTTTDP1
SCHEMBL24173107 0.76 TSHR (0.41) POLBAPEX1HTTTDP1
SCHEMBL21231953 0.74 MAPT (0.42) MAPTTDP1
SCHEMBL18806020 0.74 ELANE (0.43) —
SCHEMBL25570168 0.74 ELANE (0.41) —
SCHEMBL18808067 0.74 ALOX5 (0.33) TDP1
SCHEMBL25936844 0.73 ELANE (0.41) —
SCHEMBL23543260 0.72 FFAR1 (0.35) —

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-3162875-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2018-05-23 — — EP disclosed
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