Hexanoate

Hexanoate

SCHEMBL1230872

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

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
FABP3 P05413 7/20 0.59
NFKB1 P19838 1/20 0.57
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
FFAR3 O14843 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
GPR84 Q9NQS5 1/20 0.50

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 SCHEMBL29679275 0.98 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Stearic Acid SCHEMBL1230619 0.98 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Heptanoate SCHEMBL7723609 0.98 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Hexanoate SCHEMBL1230254 0.95 CA1 (0.62) CA1FABP3NFKB1CES2CES1
Hexanoate SCHEMBL1230471 0.95 CA1 (0.62) CA1FABP3NFKB1CES2CES1
Stearic Acid SCHEMBL9855948 0.93 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Stearic Acid SCHEMBL1228588 0.93 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Decanoic Acid SCHEMBL6153196 0.93 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Palmitic Acid SCHEMBL8803956 0.93 FABP3 (0.62) CA1FABP3NFKB1CES2CES1
Stearic Acid SCHEMBL1230185 0.93 FABP3 (0.62) CA1FABP3NFKB1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749859-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-09-11 EP disclosed
EP-1746134-B1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS KANEKA CORP (JP) 2019-09-04 EP disclosed
EP-1746135-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-05-29 EP disclosed
EP-1749858-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-04-03 EP disclosed
US-7973108-B2 Curable composition KANEKA CORPORATION (JP) 2011-07-05 US disclosed
US-7910681-B2 Curable composition having improved adhesion KANEKA CORPORATION (JP) 2011-03-22 US disclosed
US-7893170-B2 Curable composition having improved curability and adhesion KANEKA CORPORATION (JP) 2011-02-22 US disclosed
US-7763673-B2 Polyoxyalkylene glycol or a methacrylate polymer containing a crosslinkable silicon group; a titaniuim chelate of an alkyl acetoacetoate or derivative; and an amide wax thickener; highly curable KANEKA CORPORATION (JP) 2010-07-27 US disclosed
US-7625990-B2 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2009-12-01 US disclosed
US-20080319152-A1 Curable Composition KANEKA CORPORATION (JP) 2008-12-25 US disclosed
US-20080076878-A1 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-03-27 US disclosed
US-20080033087-A1 Polyoxyalkylene glycol or a methacrylate polymer containing a crosslinkable silicon group; a titaniuim chelate of an alkyl acetoacetoate or derivative; and an amide wax thickener; highly curable KANEKA CORPORATION (JP) 2008-02-07 US disclosed
US-20070287780-A1 Curable Composition KANEKA CORPORATION (JP) 2007-12-13 US disclosed
US-20070219299-A1 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION 2007-09-20 US disclosed
EP-1752496-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-14 EP disclosed
EP-1749858-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed
EP-1749859-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed
EP-1746135-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-01-24 EP disclosed
EP-1746133-A1 CURABLE COMPOSITION IMPROVED IN ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed
EP-1746134-A1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed