Dodecanoate

Dodecanoate

SCHEMBL7611907

CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.74
PPARG P37231 7/20 0.74
PPARD Q03181 7/20 0.74
PPARA Q07869 7/20 0.74
HDAC11 Q96DB2 5/20 0.74
TSHR P16473 4/20 0.74
PTPN1 P18031 3/20 0.74
FABP4 P15090 3/20 0.74
ALDH1A1 P00352 2/20 0.74
TLR2 O60603 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
KMT2A Q03164 2/20 0.74
FFAR1 O14842 2/20 0.74
FFAR4 Q5NUL3 2/20 0.74
ALOX15 P16050 2/20 0.74
HSD17B10 Q99714 2/20 0.74
SLC22A6 Q4U2R8 1/20 0.74
SLC22A8 Q8TCC7 1/20 0.74
MEN1 O00255 1/20 0.74
ESR1 P03372 1/20 0.74

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
Behenic Acid SCHEMBL5551685 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL9580556 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Lignoceric Acid SCHEMBL17812655 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL10570537 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Nonadecanoic Acid SCHEMBL10992039 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL1730395 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL2865318 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL323223 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL15436091 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Pentadecanoic Acid SCHEMBL15879881 1.00 GPR84 (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365715-B2 Thermoplastic elastomer composition and method for the production thereof STYROLUTION EUROPE GMBH (DE) 2016-06-14 US disclosed
EP-2788461-A1 METALWORKING FLUID COMPOSITION AND METHOD FOR ITS USE IN THE MACHINING OF COMPACTED GRAPHITE IRON Evans, Robert, D. (US) 2014-10-15 EP disclosed
WO-2013086483-A1 METALWORKING FLUID COMPOSITION AND METHOD FOR ITS USE IN THE MACHINING OF COMPACTED GRAPHITE IRON EVANS ROBERT D (US) 2013-06-13 WO disclosed
US-20130150271-A1 METALWORKING FLUID COMPOSITION AND METHOD FOR ITS USE IN THE MACHINING OF COMPACTED GRAPHITE IRON QUAKER CHEMICAL CORPORATION (US) 2013-06-13 US disclosed
EP-0799289-B1 SYNTHETIC LUBRICANT ANTIOXIDANT FROM MONOSUBSTITUTED DIPHENYLAMINES NOVEON IP HOLDINGS CORP (US) 2002-07-31 EP disclosed
US-6426324-B1 OXIDATION RESISTANCE NOVEON IP HOLDINGS CORP. 2002-07-30 US disclosed
EP-0734432-B1 SYNTHETIC ESTER LUBRICANT STABILIZER COMPOSITION GOODRICH CO B F (US) 1997-09-03 EP disclosed
US-5489711-A OLIGOMERIZATION OF ONE OR MORE MONOSUBSTITUTED DIPHENYLAMINES OR ONE OR MORE DI OR POLYSUBSTITUTED DIPHENYLAMINES IN PRESENCE OF PEROXIDE THE B. F. GOODRICH COMPANY 1996-02-06 US disclosed