Dodecanoate

Dodecanoate

SCHEMBL30209236

CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Sn+4]

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.56
CA1 P00915 1/20 0.54
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
NFKB1 P19838 1/20 0.46
GPR84 Q9NQS5 1/20 0.44

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
Hexane SCHEMBL28394846 0.96 FABP3 (0.56) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL11028278 0.96 FABP3 (0.56) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL30073161 0.96 FABP3 (0.56) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL29837024 0.94 FABP3 (0.58) FABP3CA1CES2CES1NFKB1
Octanoic Acid SCHEMBL8504488 0.94 FABP3 (0.55) FABP3CA1CES2CES1NFKB1
SCHEMBL1453228 0.92 CA1 (0.44) FABP3CA1
SCHEMBL887075 0.90 CA1 (0.46) FABP3CA1
SCHEMBL1121644 0.90 CA1 (0.46) FABP3CA1
SCHEMBL3930736 0.90 CA1 (0.46) FABP3CA1
SCHEMBL23440225 0.90 FABP3 (0.50) FABP3CA1CES2CES1NFKB1

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
CN-115651604-A Low-odor coated dealcoholized transparent flowing sealant for electronic and electric appliances 上海清臣环保科技有限公司 2023-01-31 CN claimed