SCHEMBL10040871

SCHEMBL10040871

C=C(C)C(=O)OC1[C@H](OC(=O)C(=C)C)COC[C@H]1OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.34
GPX4 P36969 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16787498 0.90 ALDH1A1 (0.46) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL24486022 0.90 ALDH1A1 (0.46) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL4261488 0.90 ALDH1A1 (0.46) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL18646229 0.89 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1866864 0.83 ALDH1A1 (0.41) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL21475282 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18488745 0.79 ALDH1A1 (0.41) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL803271 0.79 ALDH1A1 (0.41) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL18503096 0.79 ALDH1A1 (0.41) ALDH1A1TSHRGPX4KDM4ENPC1
SCHEMBL17127373 0.79 ALDH1A1 (0.41) ALDH1A1TSHRGPX4KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127991-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-02-08 EP disclosed
EP-2985334-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2016-02-17 EP disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed
WO-2011098224-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
WO-2010133278-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-11-25 WO disclosed