SCHEMBL2290500

SCHEMBL2290500

CC(=O)OC1C=CC(OC(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.34
CHRM2 P08172 6/20 0.34
CHRM4 P08173 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM5 P08912 2/20 0.34
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11548379 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11746006 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11548381 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL254386 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL19464089 0.91 CA12 (0.38) CA12CA9CA1CA2TSHR
SCHEMBL6561491 0.89 CA12 (0.37) CA12CA9CA1CA2TSHR
SCHEMBL8490943 0.89 CA12 (0.43) CA12CA9CA1CA2TSHR
SCHEMBL11835924 0.87 CA12 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL11835919 0.87 CA12 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL9600313 0.87 CA12 (0.40) CA12CA9CA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012063126-A2 IMPROVED PROCESSES FOR PREPARING PURE (3AR,4S,6R,6AS)-6-AMINO-2,2-DIMETHYLTETRAHDRO-3AH-CYCLOPENTA[D] [1,3]-DIOXOL-4-OL AND ITS KEY STARTING MATERIAL ACTAVIS GROUP PTC EHF (IS) 2012-05-18 WO claimed
EP-1428888-B1 Method for the production of (1S,4R)-(-)-4-Hydroxycyclopent-2-enyl esters ARCHIMICA GMBH (DE) 2008-10-22 EP claimed
US-20040126855-A1 Method for the production of (1S, 4R)-(-)-4-hydroxy cyclopent-2-enyl esters CLARIANT GMBH 2004-07-01 US claimed
EP-1428888-A1 Method for the production of (1S,4R)-(-)-4-Hydroxycyclopent-2-enyl esters Clariant GmbH (DE) 2004-06-16 EP claimed
US-4180676-A Conversion of conjugated diolefins to diacyloxy olefins PHILLIPS PETROLEUM COMPANY (US) 1979-12-25 US claimed
US-4164615-A USING AS CATALYST A TITANIUM COMPOUND, AN ALKALI METAL COMPOUND, AND A HALIDE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US claimed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US claimed
US-4001308-A REACTION OF DIBROMO COMPOUND WITH METAL SALT OF ACETIC ACID TEIJIN LIMITED (JA) 1977-01-04 US claimed
JP-51115460-A None JP disclosed
EP-2922859-B1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIV CORK (IE) 2021-05-05 EP disclosed
EP-2922859-B1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIV CORK (IE) 2021-05-05 EP disclosed
EP-2013336-B1 A NOVEL GROUP OF ESTERASES FOR THE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B R A I N AG (DE) 2016-06-22 EP disclosed
US-8956838-B2 Carboxyl esterase polypeptides B.R.A.I.N. (DE) 2015-02-17 US disclosed
CN-101679198-B Method for isomerizing allyl compounds MITSUBISHI CHEM CORP 2014-07-09 CN disclosed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US disclosed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed
US-4008125-A New cyclopentene-diols and new acyl esters thereof and process for their preparation TEIJIN LIMITED (JA) 1977-02-15 US disclosed
US-4001308-A REACTION OF DIBROMO COMPOUND WITH METAL SALT OF ACETIC ACID TEIJIN LIMITED (JA) 1977-01-04 US disclosed
US-4001308-A REACTION OF DIBROMO COMPOUND WITH METAL SALT OF ACETIC ACID TEIJIN LIMITED (JA) 1977-01-04 US disclosed
JP-S51115460-A METHOD FOR PREPARING 2-OXABICYCLO-(3.3.0)-OCT-B-ENE-3-ONE TAKANO SEIICHI 1976-10-12 JP disclosed