Hexanoate

Hexanoate

SCHEMBL11176554

CCCCCC(=O)[O-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.60
NFKB1 P19838 1/20 0.58
CA1 P00915 1/20 0.58
GPR84 Q9NQS5 1/20 0.56
DNM1 Q05193 2/20 0.56
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54

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
Decanoic Acid SCHEMBL194214 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Palmitic Acid SCHEMBL28907711 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Decanoic Acid SCHEMBL6544079 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Dodecanoate SCHEMBL2953202 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Myristic Acid SCHEMBL20489379 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Hexanoate SCHEMBL17839050 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Octanoic Acid SCHEMBL11573973 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Octanoic Acid SCHEMBL17453697 1.00 FABP3 (0.60) FABP3NFKB1CA1GPR84DNM1
Octanoic Acid SCHEMBL16007959 0.98 DNM1 (0.60) FABP3NFKB1CA1GPR84DNM1
Hexanoate SCHEMBL29936528 0.98 FABP3 (0.58) FABP3NFKB1CA1GPR84DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4399272-A COPOLYMERIZING FORMALDEHYDE AND AN ALKYLENE OXIDE OR CYCLIC FORMAL USING A LEWIS ACID AND ANIONIC CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-08-16 US disclosed