SCHEMBL1361826

SCHEMBL1361826

CC(=O)C(C)O[Ti+2]OC(C)C(C)=O.CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL50797 0.85 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30238463 0.82 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1359740 0.81 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1360807 0.78 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL8704930 0.78 FFAR3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361636 0.75 HDAC3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361659 0.75 FFAR3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL8699876 0.75 CA1 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361328 0.75 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
Isopropyl Alcohol SCHEMBL9715564 0.75 HDAC3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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