SCHEMBL16351906

SCHEMBL16351906

C=C(C)C(=O)OCCOC(=O)c1cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)ccc1OC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TSHR P16473 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32

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
SCHEMBL16351872 0.94 THRB (0.38) CFDTHRBCA1CA2TSHR
SCHEMBL16351927 0.93 THRB (0.38) CFDTHRBCA1CA2TSHR
SCHEMBL16351868 0.93 THRB (0.39) CFDTHRBCA1CA2TSHR
SCHEMBL16351892 0.92 THRB (0.38) CFDTHRBCA1CA2TSHR
SCHEMBL16351918 0.92 THRB (0.38) CFDTHRBCA1CA2TDP1
SCHEMBL16351895 0.91 THRB (0.36) CFDTHRBCA1CA2TSHR
SCHEMBL16351889 0.90 TDP1 (0.37) CFDTHRBTSHRTDP1L3MBTL1
SCHEMBL24440710 0.89 POLB (0.38) THRBCA1CA2TDP1L3MBTL1
SCHEMBL19157791 0.89 KMT2A (0.40) THRBL3MBTL1NAAAKMT2APRKCZ
SCHEMBL16351903 0.89 THRB (0.36) CFDTHRBCA1CA2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
EP-2818531-A1 Polymerisable compounds and the use thereof in liquid-crystal displays Merck Patent GmbH (DE) 2014-12-31 — — EP disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 — — US disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 — — US disclosed
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