Octanoic Acid

Octanoic Acid

SCHEMBL1661525

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCc1[nH]cc[n+]1CCCC.CCCc1[nH]cc[n+]1CCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.38
CA1 P00915 1/20 0.34
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32

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
Octanoic Acid SCHEMBL1661236 0.95 FABP3 (0.41) FABP3CA1CES2CES1
Octanoic Acid SCHEMBL1661245 0.95 FABP3 (0.41) FABP3CA1CES2CES1
Acetic Acid SCHEMBL16712238 0.81 GPR84 (0.36) CA1
Acetic Acid SCHEMBL17835460 0.80
SCHEMBL15528251 0.80 SCD (0.45) FABP3EPHX2PPARG
SCHEMBL4225934 0.79 GPR84 (0.38) CA1
SCHEMBL16163774 0.79 GPR84 (0.38) CA1
SCHEMBL4226782 0.79 GPR84 (0.38) CA1
SCHEMBL4230810 0.79 GPR84 (0.38) CA1
SCHEMBL18342020 0.79 GPR84 (0.38) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486175-A2 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS Grasim Industries Limited (IN) 2012-08-15 EP disclosed
WO-2011048609-A2 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS GRASIM INDUSTRIES LIMITED (IN) 2011-04-28 WO disclosed