Hexanoate

Hexanoate

SCHEMBL1361560

CC(C)O[Al+]OC(C)C.CCCCCC(=O)[O-]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
FABP3 P05413 7/20 0.50
NFKB1 P19838 1/20 0.49
LMNA P02545 2/20 0.47
CA2 P00918 2/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45

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 SCHEMBL1361110 0.98 FABP3 (0.53) CA1FABP3NFKB1LMNACES2
Myristic Acid SCHEMBL22444409 0.98 FABP3 (0.53) CA1FABP3NFKB1LMNACES2
Dodecanoate SCHEMBL10960376 0.98 FABP3 (0.53) CA1FABP3NFKB1LMNACES2
SCHEMBL7559223 0.89 FABP3 (0.71) FABP3LMNA
SCHEMBL7559215 0.89 FABP3 (0.71) FABP3LMNA
Butyric Acid SCHEMBL246353 0.86 FFAR3 (0.58) CA1NFKB1CA2CES2CES1
SCHEMBL7112635 0.86 HAO1 (0.50) CA1FABP3LMNACA2CES2
Stearic Acid SCHEMBL11407935 0.86 FABP3 (0.51) CA1FABP3NFKB1LMNACES2
SCHEMBL3707034 0.85 HAO1 (0.53) FABP3LMNACES2CES1
SCHEMBL17106144 0.85 HAO1 (0.53) FABP3LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113969119-A Sealing sheet and adhesive composition layer 味之素株式会社 2022-01-25 CN disclosed
US-8563675-B2 Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO. KGAA (DE) 2013-10-22 US disclosed
US-8450411-B2 Curable composition having a silane-modified reactive thinner HENKEL AG & CO. KGAA (DE) 2013-05-28 US disclosed
US-20120108730-A1 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER HENKEL AG & CO. KGAA (DE) 2012-05-03 US disclosed
US-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100204387-A1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed
US-20100143712-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2010-06-10 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed