Hexanoate

Hexanoate

SCHEMBL1131199

CCCCCC(=O)O.CN(C)CCO

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.64
▸ GPR84 Q9NQS5 7/20 0.61
▸ PPARG P37231 7/20 0.61
▸ PPARD Q03181 7/20 0.61
▸ PPARA Q07869 7/20 0.61
▸ HDAC11 Q96DB2 5/20 0.61
▸ TSHR P16473 4/20 0.61
▸ PTPN1 P18031 3/20 0.61
▸ FABP4 P15090 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TLR2 O60603 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ ALOX15 P16050 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61
▸ SLC22A8 Q8TCC7 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ PDE4A P27815 1/20 0.61

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
Heptanoate SCHEMBL1131028 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL5552240 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL1131716 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL1131707 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL1132344 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL1131494 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL11331214 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL1131264 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL14718084 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL1131524 0.94 AKR1B1 (0.54) AKR1B1GPR84PPARGPPARDPPARA

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-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 — — US claimed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 — — EP claimed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US claimed
JP-9087403-A — — None — — JP disclosed
JP-9087548-A — — None — — JP disclosed
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
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
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 — — EP 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
JP-H0987548-A ANTISTATIC COATING COMPOSITION NIPPON PAINT CO LTD 1997-03-31 — — JP disclosed
JP-H0987403-A IMPROVEMENT OF ELECTROCONDUCTIVITY OF RESIN MOLDING AND PRODUCTION OF COATED MATERIAL MADE OF RESIN NIPPON PAINT CO LTD 1997-03-31 — — JP disclosed
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