Hexanoate

Hexanoate

SCHEMBL5570503

CCCCCC(=O)O.C[N+](C)(C)C

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.84
GPR84 Q9NQS5 7/20 0.80
PPARG P37231 7/20 0.80
PPARD Q03181 7/20 0.80
PPARA Q07869 7/20 0.80
HDAC11 Q96DB2 5/20 0.80
TSHR P16473 4/20 0.80
PTPN1 P18031 3/20 0.80
FABP4 P15090 3/20 0.80
ALDH1A1 P00352 2/20 0.80
TLR2 O60603 2/20 0.80
TDP1 Q9NUW8 2/20 0.80
KMT2A Q03164 2/20 0.80
ALOX15 P16050 2/20 0.80
HSD17B10 Q99714 2/20 0.80
SLC22A6 Q4U2R8 1/20 0.80
SLC22A8 Q8TCC7 1/20 0.80
MEN1 O00255 1/20 0.80
ESR1 P03372 1/20 0.80
PDE4A P27815 1/20 0.80

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
Stearic Acid SCHEMBL109194 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL27415098 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL3118549 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL5155823 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL3106254 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL5154031 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL28987718 0.95 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1866591 0.95 AKR1B1 (0.94) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL27503401 0.95
Hexanoate SCHEMBL8572669 0.95

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-4089128-A1 POLYISOCYANATE COMPOSITION AND CURED FILM Asahi Kasei Kabushiki Kaisha (JP) 2022-11-16 EP disclosed
CN-110183390-B Preparation method of bio-based pentamethylene diisocyanate trimer 中海油常州涂料化工研究院有限公司 2021-01-19 CN disclosed
CN-110183390-A A kind of biology base pentamethylene diisocyanate trimer preparation method 中海油常州涂料化工研究院有限公司 2019-08-30 CN disclosed
CN-103936955-B New trimer catalyst additives for improving foam processability 气体产品与化学公司 2017-04-26 CN disclosed
CN-103936955-A New trimer catalyst additives for improving foam processability AIR PROD & CHEM 2014-07-23 CN disclosed
CN-101070369-B Novel trimer catalyst additives for improving foam processability AIR PROD & CHEM 2014-05-28 CN disclosed
CN-101070369-A Novel trimer catalyst additives for improving foam processability AIR PROD & CHEM (US) 2007-11-14 CN disclosed
US-20070135565-A1 COMPOSITION FOR FORMING POROUS FILM, POROUS FILM AND METHOD FOR FORMING THE SAME, INTERLEVEL INSULATOR FILM, AND SEMICONDUCTOR DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2007-06-14 US disclosed
US-7132473-B2 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-11-07 US disclosed
EP-1568744-A1 COMPOSITION FOR POROUS FILM FORMATION, POROUS FILM, PROCESS FOR PRODUCING THE SAME, INTERLAYER INSULATION FILM AND SEMICONDUCTOR DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20040219372-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2004-11-04 US disclosed
CN-87102267-A Electrolyte for electrolytic capacitor 1987-10-07 CN disclosed