Octanoic Acid

Octanoic Acid

SCHEMBL28655121

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].NCCNCCN.[Mn+2]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.55
CA1 P00915 1/20 0.52
NFKB1 P19838 1/20 0.49
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
GPR84 Q9NQS5 1/20 0.47
PAOX Q6QHF9 1/20 0.46

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
Valeric Acid SCHEMBL4580466 0.89 CA1 (0.68) FABP3CA1NFKB1CES2CES1
Stearic Acid SCHEMBL21412826 0.85 FABP3 (0.58) FABP3CA1CES2CES1
Decanoic Acid SCHEMBL11579248 0.84 FABP3 (0.62) FABP3CA1NFKB1CES2CES1
Octanoic Acid SCHEMBL11457952 0.84 FABP3 (0.62) FABP3CA1NFKB1CES2CES1
Heptanoate SCHEMBL17092949 0.84 FABP3 (0.72) FABP3CA1NFKB1CES2CES1
Dodecanoate SCHEMBL9187682 0.84 FABP3 (0.72) FABP3CA1NFKB1CES2CES1
Palmitic Acid SCHEMBL1171044 0.84 FABP3 (0.72) FABP3CA1NFKB1CES2CES1
Myristic Acid SCHEMBL7178099 0.84 FABP3 (0.72) FABP3CA1NFKB1CES2CES1
Heptadecanoic Acid SCHEMBL10454377 0.84 FABP3 (0.72) FABP3CA1NFKB1CES2CES1
Dodecanoate SCHEMBL2486355 0.84 FABP3 (0.72) FABP3CA1NFKB1CES2CES1

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
CN-113667099-A Single-component epoxy resin based on amino acid type curing agent 中国科学院宁波材料技术与工程研究所 2021-11-19 CN claimed
CN-113667099-A Single-component epoxy resin based on amino acid type curing agent 中国科学院宁波材料技术与工程研究所 2021-11-19 CN disclosed