SCHEMBL1360577

SCHEMBL1360577

CC(C)O[Ti]OC(C)C.CCOC(=O)CC(=O)C(F)(F)F.CCOC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CES2 O00748 2/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ELANE P08246 1/20 0.31
MMP8 P22894 1/20 0.31
FAAH O00519 5/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CES1 P23141 3/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 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
SCHEMBL77331 0.84 GAA (0.61) GAAMGAMSIMGAM2CES2
SCHEMBL7406648 0.82 GAA (0.58) GAAMGAMSIMGAM2CES2
SCHEMBL3265478 0.82 GAA (0.58) GAAMGAMSIMGAM2CES2
Water SCHEMBL10546276 0.82 GAA (0.58) GAAMGAMSIMGAM2CES2
SCHEMBL7210415 0.82 GAA (0.58) GAAMGAMSIMGAM2CES2
SCHEMBL2157670 0.81 GAA (0.48) GAAMGAMSIMGAM2CES2
SCHEMBL5149685 0.81 GAA (0.56) GAAMGAMSIMGAM2CES2
SCHEMBL1359716 0.81 GAA (0.44) GAAMGAMSIMGAM2CES2
SCHEMBL28370473 0.80 GAA (0.50) GAAMGAMSIMGAM2TRPA1
SCHEMBL453462 0.80 GAA (0.50) GAAMGAMSIMGAM2TRPA1

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