SCHEMBL9979757

SCHEMBL9979757

C=C(C)C(=O)OCCCC1CCC(C2CCC(OC(=O)C(=C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.41
NAAA Q02083 4/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 4/20 0.33
EPHX1 P07099 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
SCHEMBL9979756 0.92 THRB (0.42) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL10073435 0.91 TSHR (0.50) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL19844235 0.91 TSHR (0.50) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL3477916 0.91 TSHR (0.50) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL19789498 0.91 TSHR (0.50) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL9979727 0.88 TSHR (0.34) TSHRTHRBNAAA
SCHEMBL19906406 0.87 TSHR (0.55) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL16133527 0.86 TSHR (0.53) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL3477059 0.86 TSHR (0.53) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL14907410 0.86 TSHR (0.53) TSHRTHRBNAAAALDH1A1POLB

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 25 patents — showing the first 20. 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-2652087-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-30 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
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
US-9212311-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-12-15 US disclosed
WO-2014063817-A1 LIQUID CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-05-01 WO 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-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
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