SCHEMBL827667

SCHEMBL827667

CCOC(=O)c1ccc(C(=O)O)cc1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HRH3 Q9Y5N1 1/20 0.54
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9008367 0.95 TSHR (0.56) TSHRHRH3CA12CA1CA2
SCHEMBL6227901 0.95 HRH3 (0.52) TSHRHRH3CA12CA1CA2
Water SCHEMBL27703024 0.93 TSHR (0.55) TSHRHRH3CA12CA1CA2
SCHEMBL2459451 0.92 TSHR (0.53) TSHRHRH3CA12CA1CA2
SCHEMBL29843135 0.89 CA12 (0.62) TSHRCA12CA1CA2CA7
SCHEMBL321387 0.89 CA12 (0.62) TSHRCA12CA1CA2CA7
SCHEMBL25204328 0.88 CREBBP (0.49) TSHRHRH3CA12CA1CA2
SCHEMBL4327920 0.88 TSHR (0.61) TSHRESR1LMNACYP3A4ALDH1A1
SCHEMBL20873395 0.88 TSHR (0.61) TSHRESR1LMNACYP3A4ALDH1A1
SCHEMBL8669772 0.88 CA12 (0.57) TSHRHRH3CA12CA1CA2

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 39 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-20030045667-A1 Polymers made from triazine derivatives AGROLINZ MELAMIN GMBH (AT) 2003-03-06 US 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-0642569-B1 POLYESTERS OF POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS CHEVRON CHEM CO (US) 1998-12-16 EP disclosed
EP-0642569-A4 POLYESTERS OF POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS. CHEVRON CHEM CO (US) 1995-08-09 EP disclosed
EP-0642569-A1 POLYESTERS OF POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS CHEVRON CHEMICAL COMPANY (US) 1995-03-15 EP disclosed
WO-1994020592-A1 POLYESTERS OF POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY A DIVISION OF CHEVRON U.S.A. INC. (US) 1994-09-15 WO disclosed
US-5296003-A Fuel additives CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1994-03-22 US disclosed