SCHEMBL4532940

SCHEMBL4532940

CCC(C)(C)OC(=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR3 O14843 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1121870 0.87 TSHR (0.43) ALDH1A1TSHRTDP1GAA
SCHEMBL213108 0.81 LMNA (0.36) ALDH1A1GAA
SCHEMBL7699053 0.80 ALDH1A1 (0.38) ALDH1A1TSHRTDP1GAA
SCHEMBL766245 0.80 TDP1 (0.38) ALDH1A1TSHRTDP1GAA
SCHEMBL475145 0.79
SCHEMBL23072785 0.78 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL19821794 0.78 TSHR (0.42) ALDH1A1TSHRTDP1
SCHEMBL8612995 0.78 CA2 (0.34) ALDH1A1TSHRTDP1
SCHEMBL28245647 0.77 TSHR (0.39) ALDH1A1TSHRTDP1FFAR3CYP1A2
Water SCHEMBL28233467 0.77 TSHR (0.39) ALDH1A1TSHRTDP1FFAR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703951-B1 ELECTRICALLY CONDUCTIVE ADHESIVE COMPOSITIONS MINNESOTA MINING & MFG (US) 1998-07-15 EP claimed
US-5362421-A Curable epoxy resin, organometallic complex salt initiator MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-08 US claimed
US-7507387-B2 Microreactor FUJIFILM CORPORATION (JP) 2009-03-24 US disclosed
WO-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed
US-20050031507-A1 Microreactor FUJI PHOTO FILM CO., LTD. 2005-02-10 US disclosed
EP-1481725-A1 Microreactor Fuji Photo Film Co., Ltd. (JP) 2004-12-01 EP disclosed
EP-0973840-B1 SHAPED ADHESIVES MINNESOTA MINING & MFG (US) 2003-03-26 EP disclosed
WO-2001068758-A1 FORMULATION FOR MAKING POLYURETHANE FOAMS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-09-20 WO disclosed
US-6054007-A Method of forming shaped adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-04-25 US disclosed
EP-0973840-A1 SHAPED ADHESIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-26 EP disclosed
WO-1998045382-A1 SHAPED ADHESIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-15 WO disclosed
EP-0019330-B1 OLEFIN POLYMERIZATION CATALYST COMPOSITIONS AND A PROCESS FOR THE POLYMERIZATION OF OLEFINS EMPLOYING SUCH COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-08-31 EP disclosed
US-4400302-A TITANIUM HALIDE, ALKYL MAGNESIUM SHELL OIL COMPANY (US) 1983-08-23 US disclosed
EP-0019312-B1 OLEFIN POLYMERIZATION CATALYST COMPOSITIONS AND A PROCESS FOR THE POLYMERIZATION OF OLEFINS EMPLOYING SUCH COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-08-17 EP disclosed
US-4393182-A ORGANOALUMINUM COMPOUND, ELECTRON DONOR SHELL OIL COMPANY (US) 1983-07-12 US disclosed
US-4343721-A Olefin polymerization catalyst components and polymerization process SHELL OIL COMPANY (US) 1982-08-10 US disclosed
US-4329253-A MAGNESIUM HALIDE, TITANIUM HALIDE, ORGANIC ELECTRON DONOR REACTION PRODUCT SHELL OIL COMPANY (US) 1982-05-11 US disclosed
EP-0029623-A1 Preparation of catalyst components and polymerization of olefins employing such catalyst components SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-06-03 EP disclosed
EP-0019312-A1 Olefin polymerization catalyst compositions and a process for the polymerization of olefins employing such compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-11-26 EP disclosed
EP-0019330-A1 Olefin polymerization catalyst compositions and a process for the polymerization of olefins employing such compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-11-26 EP disclosed