SCHEMBL202123

SCHEMBL202123

C=C(C)C(=O)OC(C)C[N+](C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
CHRM2 P08172 2/20 0.64
CHRM4 P08173 2/20 0.64
CHRM1 P11229 2/20 0.64
TBXA2R P21731 1/20 0.64
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GALR3 O60755 1/20 0.62
BLM P54132 1/20 0.62
LMNA P02545 3/20 0.57
CHRM5 P08912 1/20 0.57
CHRM3 P20309 1/20 0.57
CYP2C9 P11712 1/20 0.57
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
HRH1 P35367 1/20 0.38

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 SCHEMBL717993 0.98 MAPT (0.66) TSHRCHRM2CHRM4CHRM1TBXA2R
Acrylamide SCHEMBL28572441 0.87 LMNA (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28243765 0.83 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL21880081 0.82 MAPT (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28330589 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL27784122 0.80 MAPT (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL4616679 0.79 MAPT (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28015281 0.79 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2540758 0.79 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2544205 0.79 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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
US-10745620-B2 Reactive mesogen formulation with conductive additive MERCK PATENT GMBH (DE) 2020-08-18 US claimed
US-20170283699-A1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2017-10-05 US claimed
EP-1159318-B1 OLIGOMERIZATION AND (CO)POLYMERIZATION OF SUBSTITUTED AND UNSUBSTITUTED ALPHA-METHYLENE-GAMMA-BUTYROLACTONES AND PRODUCTS THEREOF DU PONT (US) 2004-01-21 EP claimed
CN-110382775-B Wet rubbing fastness improver for cellulose fiber, method for producing dyed cellulose fiber using the same, and use thereof 日东纺绩株式会社 2022-09-09 CN disclosed
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-10106686-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2018-10-23 US disclosed
US-20170283699-A1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2017-10-05 US disclosed
EP-2812413-B1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2016-03-16 EP disclosed
US-9182615-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2015-11-10 US disclosed
US-20150008373-A1 REACTIVE MESOGEN FORMULATION WITH CONDUCTIVE ADDITIVE MERCK PATENT GMBH (DE) 2015-01-08 US disclosed
US-8742059-B2 Polymer precursor, high transparency polyimide precursor, polymer compound, resin composition and article using thereof DAI NIPPON PRINTING CO., LTD. (JP) 2014-06-03 US disclosed
US-20130244035-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS THE UNIVERSITY OF BRISTOL (GB) 2013-09-19 US disclosed
US-20120122033-A1 POLYMER PRECURSOR, HIGH TRANSPARENCY POLYIMIDE PRECURSOR, POLYMER COMPOUND, RESIN COMPOSITION AND ARTICLE USING THEREOF DAI NIPPON PRINTING CO., LTD. (JP) 2012-05-17 US disclosed
US-8088882-B2 Polymer precursor, high transparency polyimide precursor, polymer compound, resin composition and article using thereof DAI NIPPON PRINTING CO., LTD. (JP) 2012-01-03 US disclosed
CN-101781857-B Soap-free color-fixing agent emulsion and preparation method thereof GUIHUAN HONG 2011-08-10 CN disclosed
CN-101781857-A Soap-free color-fixing agent emulsion and preparation method thereof GUIHUAN HONG 2010-07-21 CN disclosed
US-20060229384-A1 Polymer precursor, high transparency polyimide precursor, polymer compound, resin composition and article using thereof DAI NIPPON PRINTING CO., LTD. (JP) 2006-10-12 US disclosed
EP-0581274-A1 Aroma-imparting method and aroma-emitting textile product MATSUI SHIKISO CHEMICAL CO., LTD (JP) 1994-02-02 EP disclosed