SCHEMBL9281113

SCHEMBL9281113

C=C(C)C(=O)OCCN1C=CN(C)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
Hydrochloric Acid SCHEMBL38662511 0.98 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21782839 0.87 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16739318 0.86 THRB (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16739333 0.83 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16857525 0.83 ALDH1A1 (0.46) TSHRALDH1A1CA2
Bromide SCHEMBL28041464 0.82 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
Water SCHEMBL28041510 0.82 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL30168585 0.78 TSHR (0.40) THRBTSHRPOLBAPEX1HTT
SCHEMBL16739323 0.77 TSHR (0.43) THRBTSHRALDH1A1
SCHEMBL29046804 0.77 GAA (0.49) ALDH1A1HTT

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
US-10745620-B2 Reactive mesogen formulation with conductive additive MERCK PATENT GMBH (DE) 2020-08-18 US claimed
EP-2646487-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2020-05-27 EP claimed
US-20170283699-A1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2017-10-05 US claimed
US-9182615-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2015-11-10 US claimed
CN-103384687-A Particles for electrophoretic displays MERCK PATENT GMBH 2013-11-06 CN claimed
EP-2646487-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2013-10-09 EP claimed
US-20130244035-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS THE UNIVERSITY OF BRISTOL (GB) 2013-09-19 US claimed
WO-2012072218-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-06-07 WO claimed
US-10745620-B2 Reactive mesogen formulation with conductive additive MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
EP-2646487-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2020-05-27 EP disclosed
US-20170283699-A1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2017-10-05 US disclosed
CN-104093814-B Reactive mesogenic compositions with conductive additives 默克专利股份有限公司 2017-02-15 CN disclosed
EP-3008134-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2016-04-20 EP disclosed
EP-2812413-B1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2016-03-16 EP disclosed
CN-104093814-A Reactive mesogenic compositions with conductive additives MERCK PATENT GMBH 2014-10-08 CN disclosed
CN-103384687-A Particles for electrophoretic displays MERCK PATENT GMBH 2013-11-06 CN disclosed
EP-2646487-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2013-10-09 EP disclosed
US-20130244035-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS THE UNIVERSITY OF BRISTOL (GB) 2013-09-19 US disclosed
WO-2013117284-A1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2013-08-15 WO disclosed
WO-2012072218-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-06-07 WO disclosed