SCHEMBL3393504

SCHEMBL3393504

CCCCCC(=CO)CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
AKR1B1 P15121 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL12805719 1.00 CES2 (0.42) CES2CES1AKR1B1GPR84PPARG
SCHEMBL7546492 0.92 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL27724737 0.92 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL1628114 0.92 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL7546490 0.92 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL28517372 0.92 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL9013160 0.86 CES1 (0.43) CES2CES1AKR1B1GPR84PPARG
SCHEMBL15641255 0.82 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL12744409 0.82 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL15641254 0.82 CES2 (0.44) CES2CES1GPR84PPARGPPARD

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
CN-111989308-B Process for preparing n-butanol, isobutanol and 2-alkyl alkanol feedstock 庄信万丰戴维科技有限公司 2023-04-28 CN claimed
EP-3774705-B1 PROCESS FOR MAKING A FEED OF NORMAL BUTANOL, ISO-BUTANOL AND 2-ALKYL ALKANOL JOHNSON MATTHEY DAVY TECHNOLOGIES LTD (GB) 2023-01-25 EP claimed
CN-110187026-B 2-propyl heptanol and analysis method of impurities thereof 扬子石化-巴斯夫有限责任公司 2022-10-25 CN claimed
US-11312674-B2 Process for making a feed of normal butanol, iso-butanol and 2-alkyl alkanol JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2022-04-26 US claimed
CN-111989308-A Process for preparing a feed of n-butanol, iso-butanol and 2-alkyl alkanol 庄信万丰戴维科技有限公司 2020-11-24 CN claimed
EP-3774705-B1 PROCESS FOR MAKING A FEED OF NORMAL BUTANOL, ISO-BUTANOL AND 2-ALKYL ALKANOL JOHNSON MATTHEY DAVY TECHNOLOGIES LTD (GB) 2023-01-25 EP disclosed
US-11312674-B2 Process for making a feed of normal butanol, iso-butanol and 2-alkyl alkanol JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2022-04-26 US disclosed
CN-113929558-A Method and device system for purifying and recycling waste alcohol in high-carbon alcohol production 中国海洋石油集团有限公司 2022-01-14 CN disclosed
CN-111989308-A Process for preparing a feed of n-butanol, iso-butanol and 2-alkyl alkanol 庄信万丰戴维科技有限公司 2020-11-24 CN disclosed
EP-2488478-B1 METHOD FOR PRODUCING DECANOLS BY MEANS OF HYDROGENATING DECENALS EVONIK DEGUSSA GMBH (DE) 2015-11-25 EP disclosed
US-8455701-B2 Method for producing decanols by means of hydrogenating decenals EVONIK OXENO GMBH (DE) 2013-06-04 US disclosed
US-20120253083-A1 METHOD FOR PRODUCING DECANOLS BY MEANS OF HYDROGENATING DECENALS EVONIK OXENO GMBH (DE) 2012-10-04 US disclosed
EP-1501775-B9 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF SE (DE) 2012-09-26 EP disclosed
EP-1501775-B1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF SE (DE) 2010-12-29 EP disclosed
EP-1501775-A1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
WO-2003091190-A1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 WO disclosed