SCHEMBL4209646

SCHEMBL4209646

CC(C)CC(C)CC(C)C=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL15883840 0.85
SCHEMBL195346 0.85
SCHEMBL12216596 0.85
SCHEMBL23924575 0.79 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1
SCHEMBL4777297 0.79
SCHEMBL13263355 0.78
SCHEMBL6439082 0.78
SCHEMBL1784931 0.78
SCHEMBL14899286 0.78
SCHEMBL20191710 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326278-A1 AMINATION OF POLYMERS TERMINATED WITH ALDEHYDE GROUP AND THEIR FUNCTIONALIZED DERIVATIVES FOR FOULING MITIGATION IN HYDROCARBON REFINING PROCESSES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2016-11-10 US disclosed
US-20160326278-A1 AMINATION OF POLYMERS TERMINATED WITH ALDEHYDE GROUP AND THEIR FUNCTIONALIZED DERIVATIVES FOR FOULING MITIGATION IN HYDROCARBON REFINING PROCESSES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2016-11-10 US disclosed
US-20140275433-A1 AMINATION OF POLYMERS TERMINATED WITH ALDEHYDE GROUP AND THEIR FUNCTIONALIZED DERIVATIVES FOR FOULING MITIGATION IN HYDROCARBON REFINING PROCESSES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-18 US disclosed
CN-101208344-B (R) -N-methylnaltrexone, method for the synthesis thereof and pharmaceutical use thereof PROGENICS PHARM INC 2012-10-24 CN disclosed
EP-0804402-B1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXONMOBIL CHEM PATENTS INC (US) 2009-10-07 EP disclosed
US-6307093-B1 ESTERS OF BRANCHED C.SUB.9 ALCOHOLS SUITABLE AS PLASTICIZERS; C6 ALDEHYDE AND A SATURATED ALIPHATIC C9 ALDEHYDE; REFRIGERANT LUBRICANTS EXXONMOBIL CHEMICAL PATENTS INC. 2001-10-23 US disclosed
US-6090986-A MANUFACTURE OF A SATURATED ALIPHATIC ALDEHYDE CONTAINING A TOTAL OF 9 CARBON ATOMS WHICH COMPRISES SUBJECTING A SATURATED C6 ALDEHYDE TO AN ALDOL CONDENSATION WITH PROPANAL TO FORM AN UNSATURATED C9 ALDEHYDE, AND HYDROGENATION EXXON CHEMICAL PATENTS INC. (US) 2000-07-18 US disclosed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO disclosed