Dodecanoate

Dodecanoate

SCHEMBL4445235

CCCCC(CC)C[Sn+2]CC(CC)CCCC.CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
FABP3 P05413 7/20 0.49
NFKB1 P19838 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
CA1 P00915 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42

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
Stearic Acid SCHEMBL4454256 1.00 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Hexanoate SCHEMBL6433822 0.98 CA2 (0.64) CA2FABP3NFKB1GPR84CA1
Adipic Acid SCHEMBL673668 0.97 CA2 (0.66) CA2FABP3NFKB1GPR84CA1
SCHEMBL385409 0.88 CA2 (0.50) CA2FABP3CYP3A4TSHRATM
SCHEMBL672316 0.86 CA2 (0.50) CA2FABP3NFKB1GPR84CA1
Acetic Acid SCHEMBL4447848 0.84 CA2 (0.56) CA2CA1CYP3A4TSHRATM
SCHEMBL674355 0.83 CA2 (0.53) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL28147192 0.82 CA2 (0.64) CA2FABP3NFKB1GPR84CA1
SCHEMBL3779276 0.82 CA2 (0.51) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL672911 0.81 CA2 (0.62) CA2FABP3NFKB1GPR84CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051437-B1 METHODS OF PREPARING POLYURETHANE ADHESIVES AND ADHESIVES PRODUCED THEREBY BRISTOL MYERS SQUIBB CO (US) 2005-08-17 EP claimed
EP-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed
EP-0278518-B1 PROCESS FOR THE PREPARATION OF WATER-REPELLENT GYPSUM ARTICLES AND GYPSUM POWDER CONTAINING A HYDROPHOBIC AGENT WACKER-CHEMIE GMBH (DE) 1991-05-22 EP disclosed
EP-0057937-B2 PROCESS FOR IMPREGNATING ORGANIC FIBERS Wacker-Chemie GmbH (DE) 1986-12-30 EP disclosed
EP-0156970-A2 Process for producing aqueous emulsions Wacker-Chemie GmbH (DE) 1985-10-09 EP disclosed
EP-0057937-B1 PROCESS FOR IMPREGNATING ORGANIC FIBERS Wacker-Chemie GmbH (DE) 1984-07-25 EP disclosed
EP-0111933-A2 Organopolysiloxanes having Si-C-bound oxyalkylene units, process for preparing them and use of these organopolysiloxanes Wacker-Chemie GmbH (DE) 1984-06-27 EP disclosed
EP-0057937-A2 Process for impregnating organic fibers Wacker-Chemie GmbH (DE) 1982-08-18 EP disclosed