SCHEMBL10030748

SCHEMBL10030748

C=C(C)C(=O)OC1CCC2C(CCC3CC(OC(=O)C(=C)C)CCC32)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
THRB P10828 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
SCHEMBL17677347 1.00 ALDH1A1 (0.34) ALDH1A1GRIN1GRIN2BTHRB
SCHEMBL13004917 0.93 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13580272 0.92 CYP19A1 (0.33) GRIN1GRIN2B
SCHEMBL17614044 0.91 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL9970229 0.91 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL91315 0.86 ALDH1A1 (0.34) ALDH1A1THRB
SCHEMBL1397186 0.84 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL91316 0.84 CHRM2 (0.36) ALDH1A1THRB
SCHEMBL2779120 0.84 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL20869334 0.83 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246375-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
EP-3246375-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-11-22 EP disclosed
EP-2677019-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
EP-2677018-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-11-23 EP disclosed
EP-2692826-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-04-13 EP disclosed
EP-2692827-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-03-23 EP disclosed
EP-2692827-A2 Liquid-crystalline medium Merck Patent GmbH (DE) 2014-02-05 EP disclosed
EP-2692826-A2 Liquid-crystalline medium Merck Patent GmbH (DE) 2014-02-05 EP disclosed
EP-2361291-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2013-11-06 EP disclosed
EP-2516589-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
EP-2239310-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
WO-2011076329-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2011-06-30 WO disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 EP disclosed
WO-2010072370-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2010-07-01 WO disclosed
WO-2009156118-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-12-30 WO disclosed