SCHEMBL1472645

SCHEMBL1472645

C=CC(C)CCCC(C)(COC(C)=O)OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL158257 0.83 GAA (0.37) GAAALDH1A1CYP3A4
Acetic Acid SCHEMBL14763984 0.80 GAA (0.35) GAAALDH1A1CYP3A4
SCHEMBL12459690 0.73 GAA (0.44) GAAALDH1A1SMN1; SMN2
SCHEMBL1472646 0.70 PTPN1 (0.42) USP2ALDH1A1CYP3A4MAPTHPGD
Acetic Acid SCHEMBL29257654 0.69 MEN1 (0.36) ALDH1A1CYP3A4
SCHEMBL8668365 0.69 CYP3A4 (0.37) ALDH1A1CYP3A4
SCHEMBL22783272 0.69 TSHR (0.38) ALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL8668332 0.69 MEN1 (0.31) CYP3A4
SCHEMBL3161360 0.69 MGAM (0.33) GAAALDH1A1CYP3A4
SCHEMBL13896300 0.68 CA1 (0.33) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907568-B1 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF ENCAPSYS LLC (US) 2017-12-06 EP disclosed
EP-2907568-A1 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPVION, INC. (US) 2015-08-19 EP disclosed
CN-102159309-B A fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof APPLETON PAPER INC 2014-06-18 CN disclosed
US-8440265-B2 Water- and heat-resistant scratch-and-sniff coating APPLETON PAPERS INC. (US) 2013-05-14 US disclosed
US-20110253584-A1 WATER- AND HEAT-RESISTANT SCRATCH-AND-SNIFF COATING ENCAPSYS, LLC 2011-10-20 US disclosed
EP-2364205-A2 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING BORON AND PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPLETON PAPERS INC. (US) 2011-09-14 EP disclosed
CN-102159309-A A fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof APPLETON PAPER INC 2011-08-17 CN disclosed
US-7915215-B2 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof APPLETON PAPERS INC. (US) 2011-03-29 US disclosed
US-20100099594-A1 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof IPS ADHESIVES LLC 2010-04-22 US disclosed
WO-2010044834-A2 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING BORON AND PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPLETON PAPERS INC. (US) 2010-04-22 WO disclosed
US-20100087351-A1 Perfumes for Linear Citrus Release in Rinse-Off Systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-04-08 US disclosed
US-20080176781-A1 Perfumes for linear citrus release in rinse-off systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2008-07-24 US disclosed