SCHEMBL9979756

SCHEMBL9979756

C=C(C)C(=O)OCCC1CCC(C2CCC(OC(=O)C(=C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.37
NAAA Q02083 1/20 0.32
TLR4 O00206 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL9979757 0.92 TSHR (0.43) THRBTSHRALDH1A1NAAAPOLB
SCHEMBL19844232 0.91 THRB (0.46) THRBTSHRALDH1A1TLR4POLB
SCHEMBL19844221 0.91 THRB (0.46) THRBTSHRALDH1A1TLR4POLB
SCHEMBL2782247 0.86 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22083048 0.85 THRB (0.31) THRB
SCHEMBL9979752 0.85 ALDH1A1 (0.46) THRBTSHRALDH1A1
SCHEMBL19844228 0.84 THRB (0.41) THRBTSHRALDH1A1NAAAPOLB
SCHEMBL12177972 0.82 NAAA (0.45) THRBTSHRALDH1A1NAAATLR4
SCHEMBL9972479 0.82 ALDH1A1 (0.41) THRBTSHRALDH1A1
SCHEMBL28095095 0.82 THRB (0.49) THRBTSHRALDH1A1NAAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652087-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
US-9611428-B2 Liquid-crystalline medium and electro-optical liquid-crystal display MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
US-9611428-B2 Liquid-crystalline medium and electro-optical liquid-crystal display MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
EP-2692826-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-04-13 EP disclosed
EP-2542648-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-04-06 EP disclosed
EP-2692827-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-03-23 EP disclosed
EP-2534223-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-21 EP disclosed
US-20150284635-A1 LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-10-08 US disclosed
US-20150284635-A1 LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-10-08 US disclosed
EP-2542647-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-09-16 EP disclosed
WO-2014063817-A1 LIQUID CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-05-01 WO disclosed
EP-2692826-A2 Liquid-crystalline medium Merck Patent GmbH (DE) 2014-02-05 EP disclosed
EP-2692827-A2 Liquid-crystalline medium Merck Patent GmbH (DE) 2014-02-05 EP disclosed
WO-2012079676-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2011137956-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2011-11-10 WO disclosed
WO-2011107218-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed
WO-2011098224-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
WO-2009156118-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-12-30 WO disclosed