SCHEMBL829631

SCHEMBL829631

CCCOC(=O)c1ccc(C(=O)O)cc1C(=O)OCCC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 2/20 0.54
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
ESR1 P03372 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
KDR P35968 1/20 0.53
MAPK1 P28482 3/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47
STS P08842 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL28186309 0.95 ALDH1A1 (0.59) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL17713249 0.95 ALDH1A1 (0.54) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL828473 0.90 TSHR (0.63) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL828588 0.90 ALDH1A1 (0.65) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL29492993 0.90 ALDH1A1 (0.65) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL829228 0.89 TSHR (0.67) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL7078308 0.89 TSHR (0.67) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL17967704 0.89 TSHR (0.67) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL828217 0.89 TSHR (0.67) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL829039 0.89 TSHR (0.67) ALDH1A1LMNATSHRTDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
US-7595420-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-29 US claimed
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US claimed
EP-1567470-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2005-08-31 EP claimed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO claimed
US-10017448-B2 Process for hydrogenation of benzenepolycarboxylic acids and derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-10 US disclosed
US-20170291867-A1 Improved Process for Hydrogenation of Benzenepolycarboxylic Acids and Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2017-10-12 US disclosed
EP-3212605-A1 IMPROVED PROCESS FOR HYDROGENATION OF BENZENEPOLYCARBOXYLIC ACIDS AND DERIVITIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2017-09-06 EP disclosed
WO-2016066410-A1 IMPROVED PROCESS FOR HYDROGENATION OF BENZENEPOLYCARBOXYLIC ACIDS AND DERIVITIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-05-06 WO disclosed
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP disclosed
US-8203017-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-06-19 US disclosed
US-8143438-B2 Hydrogenation processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-27 US disclosed
US-20040199033-A1 Method for hydrogenating organic compounds by means of ru/sio2 catalysts BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 US disclosed
WO-2004046076-A2 HYDROGENATION CATALYST, PREPARATION THEREOF AND HYDROGENATION PROCESSES USING THIS CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-06-03 WO disclosed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO disclosed
US-20020019559-A1 Hydrogenation of benzenepolycarboxylic acids or derivatives thereof using a catalyst containing macropores BRUNNER MELANIE (DE) 2002-02-14 US disclosed
US-6284917-B1 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
EP-0415704-B1 Catalysts for polymerization of olefins CHISSO CORP (JP) 1995-05-10 EP disclosed
US-5084429-A Coordination catalysts for olefin polymerization from magnesium, titanium, vanadium and silicon compounds CHISSO CORPORATION (JP) 1992-01-28 US disclosed
EP-0415704-A2 Catalysts for polymerization of olefins CHISSO CORPORATION (JP) 1991-03-06 EP disclosed