SCHEMBL451857

SCHEMBL451857

CCCOC(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS1 P23219 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL27745815 0.98 TSHR (0.42) TSHRTDP1LMNAMEN1CYP3A4
Ethylene Glycol SCHEMBL27605089 0.94 TSHR (0.39) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL31731103 0.90 TSHR (0.37) TSHRTDP1LMNAMEN1CYP3A4
Tert-Butyl Hydroperoxide SCHEMBL27262007 0.89 TSHR (0.36) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL27307066 0.89 TSHR (0.36) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL13133074 0.88 TSHR (0.48) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL451401 0.87 ALDH1A1 (0.50) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL25435787 0.85 TSHR (0.54) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL37351 0.85 TSHR (0.54) TSHRTDP1LMNAMEN1CYP3A4
SCHEMBL4922984 0.85 NAAA (0.48) TSHRCYP3A4ALDH1A1HCAR2MAPT

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 557 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110527191-A Inorganic degradation plasticity agglomerate material of one kind and preparation method thereof ZHEJIANG SHANLIAN NEW MAT TECH CO LTD 2019-12-03 CN claimed
CN-106232271-A Foam of polymers 弗纳技术股份有限公司 2016-12-14 CN claimed
CN-106232881-A polymer foam 弗纳技术股份有限公司 2016-12-14 CN claimed
CN-104194678-A Efficient-packaging EVA (ethylene-vinyl acetate) solar cell module packaging adhesive film and preparation method thereof NANJING HONGBAOLI NEW MATERIALS CO LTD 2014-12-10 CN claimed
CN-104059702-A Spark ignition engine automobile exhaust cleaning agent as well as preparation and using methods thereof SHAANXI BAO JIANG NEW ENERGY TECHNOLOGY DEV CO LTD 2014-09-24 CN claimed
CN-103733290-A Method for assembling a hybrid lithium supercapacitor BATSCAP SA 2014-04-16 CN claimed
CN-101669900-B Polymeric delivery formulations of leuprolide with improved efficacy QLT USA INC (US) 2013-07-24 CN claimed
CN-102229823-B Terpene isopropyl carbonate gasoline antiknock XI AN WONDER SCIENCE & TECHNOLOGY CO LTD 2013-06-12 CN claimed
CN-103030657-A Preparation method of electrolyte double-oxalate based lithium borate for lithium ion battery FUJIAN MATTER STRUCTURE 2013-04-10 CN claimed
CN-102816184-A (2-(2-oxyl-4-sulfo-pyrimidine) ethyoxyl) methyl-phosphonate derivatives as well as preparation method and applications thereof UNIV SHANDONG 2012-12-12 CN claimed
CN-1289557-C Polymer electrolyte and secondary lithium cell with the electrolyte SAMSUNG SDI CO LTD (KR) 2006-12-13 CN claimed
CN-1805981-A Functionalized polyalphaolefins BAKER HUGHES INC (US) 2006-07-19 CN claimed
CN-1474685-A More efficient polymeric formulations of lipiran ������ʵ���ҹ�˾ 2004-02-11 CN claimed
CN-1384125-A Polymer electrolyte and secondary lithium cell with the electrolyte SAMSUNG SDI CO LTD (KR) 2002-12-11 CN claimed
CN-1086695-C Organic peroxide stabilization with phosphomolybdic acid CK WITCO CORP (US) 2002-06-26 CN claimed
CN-1076338-C Process for preparation of tertiary aminocarbonates and aminoethers OSI SPECIALTIES INC (US) 2001-12-19 CN claimed
CN-1070181-C Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds CK WITCO CORP (US) 2001-08-29 CN claimed
CN-2443080-Y Roof anti-leakage thermal insulation structural member of rubber and plastic composite structure HUANG SHAOTANG (CN) 2001-08-15 CN claimed
CN-1190387-A Process for preparation of tertiary aminocarbonates and aminoethers OSI SPECIALTIES INC (US) 1998-08-12 CN claimed
CN-86100923-A The compound that the energy that is used to extrude is crosslinked 1986-08-06 CN claimed