Hexanoate

Hexanoate

SCHEMBL1836008

CCCCCC(=O)O.CNC(C)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
FABP4 P15090 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
FFAR1 O14842 2/20 0.64
FFAR4 Q5NUL3 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64

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
Undecanoate SCHEMBL1831733 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL1834278 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL1830989 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL1833740 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL1839048 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL28252686 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL1835222 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL1834228 0.94 AKR1B1 (0.56) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL5555751 0.91 LMNA (0.55) AKR1B1GPR84PPARGPPARDPPARA
Octanedioate SCHEMBL27681728 0.89 TSHR (0.57) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP claimed
CN-1997620-A Ionic liquids comprising nitrogen-containing cations UNIV YORK (GB) 2007-07-11 CN claimed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
CN-1997620-B Ionic liquids comprising nitrogen-containing cations UNIV YORK 2012-10-03 CN disclosed
CN-102344379-A Ionic liquid containing nitrogen-containing cation UNIV YORK 2012-02-08 CN disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP disclosed
CN-1997620-A Ionic liquids comprising nitrogen-containing cations UNIV YORK (GB) 2007-07-11 CN disclosed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO disclosed