SCHEMBL9979752

SCHEMBL9979752

C=C(C)C(=O)OCC1CCC(C2CCC(OC(=O)C(=C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.36

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
SCHEMBL31337642 0.95 ALDH1A1 (0.50) ALDH1A1THRBTSHR
SCHEMBL31337644 0.95 ALDH1A1 (0.50) ALDH1A1THRBTSHR
SCHEMBL19844237 0.90 ALDH1A1 (0.55) ALDH1A1THRBTSHR
SCHEMBL13289643 0.90 ALDH1A1 (0.55) ALDH1A1THRBTSHR
SCHEMBL91314 0.87 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL18309892 0.87 ALDH1A1 (0.49) ALDH1A1THRBTSHR
SCHEMBL18978699 0.86 ALDH1A1 (0.47) ALDH1A1THRBTSHR
SCHEMBL9979756 0.85 THRB (0.42) ALDH1A1THRBTSHR
SCHEMBL13289646 0.85 ALDH1A1 (0.44) ALDH1A1THRBTSHR
SCHEMBL9972479 0.85 ALDH1A1 (0.41) ALDH1A1THRBTSHR

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 19 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
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
US-9212311-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-12-15 US disclosed
US-9212311-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-12-15 US disclosed
EP-2534223-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-21 EP disclosed
EP-2542647-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-09-16 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-2516589-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
EP-2540802-A2 Liquid-crystel display Merck Patent GmbH (DE) 2013-01-02 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-2011076329-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2011-06-30 WO disclosed
WO-2011029510-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2011-03-17 WO disclosed
EP-2292720-A1 Liquid-crystal display Merck Patent GmbH (DE) 2011-03-09 EP disclosed
WO-2009156118-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-12-30 WO disclosed