SCHEMBL326011

SCHEMBL326011

CCCCCCCCCCCCCCCCCN1CC[N+](CC)=C1CC.CCOS(=O)(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37
EEF2K O00418 1/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP1A1 P04798 2/20 0.31
GBA1 P04062 1/20 0.31
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL9814332 0.86 RECQL (0.35) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9646016 0.86 RECQL (0.35) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4236375 0.85
SCHEMBL11316604 0.84 EEF2K (0.47) EEF2KALDH1A1GBA1
SCHEMBL4246959 0.80 FAAH (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4246966 0.80 FAAH (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9814340 0.74 RECQL (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4236377 0.72
SCHEMBL7591943 0.71 EEF2K (0.43) TSHREEF2KALDH1A1GBA1
SCHEMBL9810141 0.70 FUT7 (0.35) RECQLGLAHPGDTSHRMAPK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275042-A CATIONIC SEQUESTRANT ALCAN RESEARCH AND DEVELOPMENT LIMITED (CA) 1981-06-23 US claimed
US-20120167451-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-07-05 US disclosed
WO-2012006316-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-01-12 WO disclosed
US-20100037513-A1 Biofuel Composition and Method of Producing a Biofuel NEW GENERATION BIOFUELS, INC. (US) 2010-02-18 US disclosed
EP-2010631-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL New Generation Biofuels, Inc. (US) 2009-01-07 EP disclosed
WO-2007127059-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL NEW GENERATION BIOFUELS, INC. (US) 2007-11-08 WO disclosed
US-6235067-B1 LIQUID HYDROCARBON FUEL AND WATER SUPERCRITICAL MIXTURE EMITTER NOZZLES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US disclosed
US-6057376-A FROM MIXTURE OF OIL SOLUBLE AND MULTIFUNCTIONAL UNSATURATED MONOMERS, WATER, ANIONIC SURFACTANT HAVING OIL SOLUBLE TAIL, QUATERNARY SALT, INITIATER; CURING TO POLYMERIZE AND CROSSLINK, REMOVING WATER; FOAMS SHELL OIL COMPANY (US) 2000-05-02 US disclosed
EP-0902805-B1 PROCESS TO PREPARE LOW DENSITY POROUS CROSSLINKED POLYMERIC MATERIALS SHELL OIL CO (US) 2000-03-08 EP disclosed
US-5912276-A CURING AND EMULSION POLYMERIZING VINYL AND MULTIFUNCTIONAL UNSATURATED MONOMERS IN SORBITAN- OR SACCHARIDE FATTY ACID ESTER SURFACTANT AND QUATERNARY SALT SHELL OIL COMPANY (US) 1999-06-15 US disclosed
EP-0902792-A1 PROCESS TO PREPARE LOW DENSITY POROUS CROSS-LINKED POLYMERIC MATERIALS SHELL OIL COMPANY (US) 1999-03-24 EP disclosed
EP-0902805-A1 PROCESS TO PREPARE LOW DENSITY POROUS CROSSLINKED POLYMERIC MATERIALS SHELL OIL COMPANY (US) 1999-03-24 EP disclosed
WO-1997045456-A1 PROCESS TO PREPARE LOW DENSITY POROUS CROSS-LINKED POLYMERIC MATERIALS SHELL OIL COMPANY (US) 1997-12-04 WO disclosed
WO-1997045479-A1 PROCESS TO PREPARE LOW DENSITY POROUS CROSSLINKED POLYMERIC MATERIALS SHELL OIL COMPANY (US) 1997-12-04 WO disclosed
WO-1997003279-A9 COMBUSTION OF NANOPARTITIONED FUEL 1997-03-06 WO disclosed
WO-1997003279-A1 COMBUSTION OF NANOPARTITIONED FUEL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1997-01-30 WO disclosed