SCHEMBL2993926

SCHEMBL2993926

[CH2]CCNCC(O)COC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL28303319 0.85 TSHR (0.49) TSHRTP53HIF1ACYP3A4MAPK1
SCHEMBL10480455 0.81 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL9139239 0.80 KDM4E (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL95157 0.78 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8422160 0.77 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1242941 0.77 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDADRB2
SCHEMBL27598270 0.76 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21488921 0.76 TSHR (0.43) TSHRALDH1A1CYP3A4SMN1; SMN2HPGD
SCHEMBL21695488 0.76 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDADRB2
Hydrochloric Acid SCHEMBL5696148 0.76 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107073882-B Display film and display device including the same 三星SDI株式会社 2019-06-04 CN disclosed
EP-3274384-A1 VINYL-BASED SILICONE-SUBSTITUTED HYDROPHILIC COPOLYMER AND HYDROGEL COMPOSITION COMPRISING THE SAME Momentive Performance Materials Inc. (US) 2018-01-31 EP disclosed
CN-104411787-B silicone hard coating resin composition 韩国科学技术院 2017-02-22 CN disclosed
WO-2016160488-A1 VINYL-BASED SILICONE-SUBSTITUTED HYDROPHILIC COPOLYMER AND HYDROGEL COMPOSITION COMPRISING THE SAME MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-10-06 WO disclosed
CN-102713744-B Silicon-containing liquid crystal aligning agent, liquid crystal orientation film and liquid crystal display cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-02 CN disclosed
US-8597959-B2 Methods of use of solid support material for binding biomolecules 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-03 US disclosed
CN-102713744-A Silicon-containing liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL IND LTD 2012-10-03 CN disclosed
US-20100184103-A1 METHODS OF USE OF SOLID SUPPORT MATERIAL FOR BINDING BIOMOLECULES 3M INNOVATIVE PROPERTIES COMPANY 2010-07-22 US disclosed
EP-0850196-B1 PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS CABOT CORP (US) 2002-06-26 EP disclosed
US-6191173-B1 GELLING WATER GLASS BY POLYCONDENSATION; TREATING WITH BIFUNCTIONAL ORGANIC COMPOUND LINKING COMPOUND TO AEROGEL; DRYING WITH RETENTION OF GEL STRUCTURE HOECHST RESEARCH TECHNOLOGY DEUTSCHLAND GMBH (DE) 2001-02-20 US disclosed
EP-0850196-A1 PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-07-01 EP disclosed
WO-1997010177-A1 PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1997-03-20 WO disclosed