Octanoic Acid

Octanoic Acid

SCHEMBL1011338

CC(C)(N)C(C)(C)O.CCCCCCCC(=O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.68
PPARG P37231 7/20 0.68
PPARD Q03181 7/20 0.68
PPARA Q07869 7/20 0.68
HDAC11 Q96DB2 5/20 0.68
TSHR P16473 4/20 0.68
PTPN1 P18031 3/20 0.68
FABP4 P15090 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TLR2 O60603 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
KMT2A Q03164 2/20 0.68
ALOX15 P16050 2/20 0.68
HSD17B10 Q99714 2/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
SLC22A8 Q8TCC7 1/20 0.68
MEN1 O00255 1/20 0.68
ESR1 P03372 1/20 0.68
PDE4A P27815 1/20 0.68
PDE3A Q14432 1/20 0.68

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
Palmitic Acid SCHEMBL11697627 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL11114409 0.98 AKR1B1 (0.67) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3413781 0.90 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL8846997 0.90 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL29152888 0.88 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL28612262 0.88 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL27884189 0.88 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL29152854 0.88 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL28624791 0.88 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL27901322 0.88 GPR84 (0.68) 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162385-A Carboxylic Acid Blowing Agent BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed
EP-0476337-A1 Process for the preparation of rigid foams containing urethane groups or urethane and isocyanurate groups BASF Aktiengesellschaft (DE) 1992-03-25 EP claimed
EP-2970571-B1 POLYESTER POLYOLS IMPARTING IMPROVED FLAMMABILITY PROPERTIES STEPAN CO (US) 2020-11-25 EP disclosed
US-20190071533-A1 POLYESTER POLYOLS IMPARTING IMPROVED FLAMMABILITY PROPERTIES STEPAN CO (US) 2019-03-07 US disclosed
US-20180187391-A1 LANDFILLING METHOD FOR REFURBISHING LANDSCAPES BASF SE (DE) 2018-07-05 US disclosed
EP-2970571-A1 POLYESTER POLYOLS IMPARTING IMPROVED FLAMMABILITY PROPERTIES Stepan Company (US) 2016-01-20 EP disclosed
US-20160002386-A1 POLYESTER POLYOLS IMPARTING IMPROVED FLAMMABILITY PROPERTIES STEPAN CO (US) 2016-01-07 US disclosed
WO-2015135759-A1 LANDFILLING METHOD FOR REFURBISHING LANDSCAPES BASF SE (DE) 2015-09-17 WO disclosed
WO-2014150207-A1 POLYESTER POLYOLS IMPARTING IMPROVED FLAMMABILITY PROPERTIES STEPAN COMPANY (US) 2014-09-25 WO disclosed
EP-1984415-B1 COMPATIBILIZING SURFACTANTS FOR POLYURETHANE POLYOLS AND RESINS STEPAN CO (US) 2011-01-05 EP disclosed
US-20090312447-A1 COMPATIBILIZING SURFACTANTS FOR POLYURETHANE POLYOLS AND RESINS STEPAN COMPANY (US) 2009-12-17 US disclosed
US-5488071-A RIGID CLOSED CELL FOAMS OF POLYETHERURETHANES BASF CORPORATION (US) 1996-01-30 US disclosed
US-5484817-A TO EMULSIFY THE HYDROCARBON BLOWING AGENT AND TO LOWER THE DENSITY OF THE CLOSED-CELL FOAM BASF CORPORATION (US) 1996-01-16 US disclosed
US-5470501-A Processability of hydrocarbon blown, polyisocyanate based foams through use of a compatibilizing agent BASF CORPORATION (US) 1995-11-28 US disclosed
US-5468420-A Polyol compositions and rigid polyisocyanate based foams containing 2-chloropropane and aliphatic hydrocarbon blowing agents BASF CORPORATION (US) 1995-11-21 US disclosed
US-5464562-A Polyisocyanurate closed-cell foam BASF CORPORATION (US) 1995-11-07 US disclosed
US-5420167-A Closed-cell foam BASF CORPORATION (US) 1995-05-30 US disclosed
US-5385952-A Flame resistant rigid polyurethane foams containing phosphorus and a halogen BASF CORPORATION (US) 1995-01-31 US disclosed
US-5162385-A Carboxylic Acid Blowing Agent BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
EP-0476337-A1 Process for the preparation of rigid foams containing urethane groups or urethane and isocyanurate groups BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed