SCHEMBL93198

SCHEMBL93198

CCCCCCC(C)(C)OC=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 7/20 0.42
FDPS P14324 11/20 0.41
SMPD1 P17405 3/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37

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
SCHEMBL2107760 1.00 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL2109068 1.00 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL2111013 1.00 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL2110793 1.00 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL2110488 1.00 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL93146 1.00 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11346376 0.98 TDP1 (0.40) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL93232 0.91 TDP1 (0.42) GGPS1FDPSTSHRTDP1EPHX1
SCHEMBL27281363 0.83 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL27282120 0.83 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963843-A Carbamoyloxymethyltriazolylcyclohexanes as LPA antagonists 百时美施贵宝公司 2019-07-02 CN disclosed
EP-2426488-B1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEM IND LTD (JP) 2016-04-20 EP disclosed
EP-1903069-B1 NOVEL POLYMER AND METHOD OF MEASURING CHOLESTEROL THEREWITH WAKO PURE CHEM IND LTD (JP) 2015-08-12 EP disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8921124-B2 Pyrazole-based cyanine dye WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-30 US disclosed
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 US disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-5190994-A Polymers/Shell-Core/ AKZO N.V. (NL) 1993-03-02 US disclosed
EP-0469646-A1 Hybrid polymer, aqueous dispersions and coating composition therefrom Akzo Nobel N.V. (NL) 1992-02-05 EP disclosed
EP-0445863-A1 Aqueous dispersion of a hybrid polymer and coating composition therefrom Akzo Nobel N.V. (NL) 1991-09-11 EP disclosed
EP-0408858-A1 Copolymers for use in high solids, low volatile organic content coatings BASF Corporation (US) 1991-01-23 EP disclosed
EP-0018051-B1 PIGMENT-CONTAINING COATING COMPOSITION HAVING A HIGH SOLIDS CONTENT AKZO N.V. (NL) 1983-05-11 EP disclosed
EP-0000601-B1 PROCESS FOR THE PREPARATION OF A LOW MOLECULAR WEIGHT ACRYLATE COPOLYMER, AND A LIQUID COATING COMPOSITION HAVING A HIGH SOLIDS CONTENT BASED ON THE ACRYLATE COPOLYMER THUS OBTAINED AKZO N.V. (NL) 1981-08-26 EP disclosed
US-4271062-A ESTER DIOL BLEND WITH CURING AGENT, PRIMERS, TOP COATS AKZO N.V. (NL) 1981-06-02 US disclosed
US-4245074-A POLYMERIZATION IN PRESENCE OF A MERCAPTOCARBOXYLIC ACID, REACTION WITH A GLYCIDYL ESTER OF A MONOCARBOXYLIC ACID AKZO N.V. (NL) 1981-01-13 US disclosed
EP-0018051-A1 Pigment-containing coating composition having a high solids content AKZO N.V. (NL) 1980-10-29 EP disclosed
EP-0000601-A1 Process for the preparation of a low molecular weight acrylate copolymer, and a liquid coating composition having a high solids content based on the acrylate copolymer thus obtained AKZO N.V. (NL) 1979-02-07 EP disclosed