Dodecanoate

Dodecanoate

SCHEMBL5518529

CCCCCCCCCCCC(=O)[O-].O=S(=O)(O)O.[Na+]

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.67
FABP3 P05413 7/20 0.62
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
NFKB1 P19838 1/20 0.55
GPR84 Q9NQS5 1/20 0.53
FFAR3 O14843 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
Myristic Acid SCHEMBL27863287 1.00 CA1 (0.67) CA1FABP3CES2CES1NFKB1
Stearic Acid SCHEMBL27580087 1.00 CA1 (0.67) CA1FABP3CES2CES1NFKB1
Stearic Acid SCHEMBL10488860 0.96 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Stearic Acid SCHEMBL3357529 0.96 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Myristic Acid SCHEMBL4230929 0.91 CA1 (0.67) CA1FABP3CES2CES1NFKB1
Palmitic Acid SCHEMBL8511539 0.91 CA1 (0.67) CA1FABP3CES2CES1NFKB1
Dodecanoate SCHEMBL138674 0.91 CA1 (0.67) CA1FABP3CES2CES1NFKB1
Lignoceric Acid SCHEMBL4889106 0.91 CA1 (0.80) CA1FABP3CES2CES1NFKB1
Hexacosanoic Acid SCHEMBL6568273 0.91 CA1 (0.80) CA1FABP3CES2CES1NFKB1
Tridecanoate SCHEMBL1852615 0.91 CA1 (0.80) CA1FABP3CES2CES1NFKB1

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 165 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103654632-B surface cleaning device 碧洁家庭护理有限公司 2017-08-01 CN claimed
CN-103754026-A Mint-refreshing drawing board Ningbo zhibao stationery co ltd 2014-04-30 CN claimed
CN-103756082-A Interesting strawberry drawing board Ningbo zhibao stationery co ltd 2014-04-30 CN claimed
CN-103738085-A Interesting banana-shaped drawing board Ningbo zhibao stationery co ltd 2014-04-23 CN claimed
CN-103612525-A Interesting juicy peach drawing board Ningbo zhibao stationery co ltd 2014-03-05 CN claimed
CN-103571825-A Composition for biological sample treatment and nucleic acid amplification method using the same IND TECH RES INST 2014-02-12 CN claimed
CN-103550183-A Trimetazidine hydrochloride osmotic pump controlled-release tablet and preparation method thereof HEFEI LIFEON PHARMACEUTICAL CO LTD 2014-02-05 CN claimed
CN-102429886-B Indapamide osmotic pump preparation and preparation method thereof HEFEI LIFEON PHARMACEUTICAL CO LTD 2013-06-19 CN claimed
CN-102429886-A Indapamide osmotic pump preparation and preparation method thereof HEFEI LIFEON PHARMACEUTICAL CO LTD 2012-05-02 CN claimed
CN-1922324-B Bacterial virulence factors and uses thereof UNIV BRITISH COLUMBIA 2010-06-09 CN claimed
CN-101711861-A bacterial virulence factors and uses thereof UNIV BRITISH COLUMBIA 2010-05-26 CN claimed
CN-1922324-A Bacterial virulence factors and uses thereof UNIV BRITISH COLUMBIA (CA) 2007-02-28 CN claimed
CN-1665492-A Platform for transdermal formulations (ptf) HOLDEN DEV LTD (VG) 2005-09-07 CN claimed
CN-115989403-A Soil analysis method 精密种植有限责任公司 2023-04-18 CN disclosed
CN-115956202-A Soil analysis compositions and methods 精密种植有限责任公司 2023-04-11 CN disclosed
CN-115885180-A Soil analysis method 精密种植有限责任公司 2023-03-31 CN disclosed
CN-1082980-C Polyester composition and films produced therefrom TORAY INDUSTRIES (JP) 2002-04-17 CN disclosed
WO-1999056721-A1 LIQUID COMPOSITIONS COMPRISING HIGH LEVELS OF ALKYL ARYL SULFONATES UNILEVER PLC (GB) 1999-11-11 WO disclosed
CN-1155895-A Polyester composition and films produced therefrom TORAY INDUSTRIES (JP) 1997-07-30 CN disclosed
CN-85106903-A ANTICARIOUS ORAL COMPOSITION 1987-03-11 CN disclosed