SCHEMBL1077670

SCHEMBL1077670

CCC(C(C)=O)C(=O)O.CCC(C(C)=O)C(=O)O.CCCCO[Al]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL1077508 0.82 CHRM1 (0.36) ALDH1A1CA2MAPK1CHRM1AKR1A1
SCHEMBL11097100 0.81 ALDH1A1 (0.41) ALDH1A1CA2MAPK1ATMHCAR2
SCHEMBL21544059 0.80 ALDH1A1 (0.39) ALDH1A1CA2MAPK1TDP1ATM
SCHEMBL2671988 0.80 ALDH1A1 (0.39) ALDH1A1CA2MAPK1ATMHCAR2
SCHEMBL1077471 0.80 CA2 (0.32) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL10791440 0.79 ALDH1A1 (0.38) ALDH1A1CA2MAPK1TDP1ATM
Butyl Alcohol SCHEMBL15733401 0.79 ALDH1A1 (0.46) ALDH1A1CA2MAPK1CHRM1AKR1A1
SCHEMBL6281801 0.77 ALDH1A1 (0.37) ALDH1A1CA2MAPK1ATMHCAR2
1-Hexanol SCHEMBL6829202 0.77 TSHR (0.52) ALDH1A1CA2MAPK1TDP1GPR84
SCHEMBL157028 0.77

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-2178963-B1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO KGAA (DE) 2013-07-17 EP disclosed
EP-2076568-B1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
EP-2449033-A2 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER Henkel AG & Co. KGaA (DE) 2012-05-09 EP disclosed
EP-2176315-B1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS HENKEL AG & CO KGAA (DE) 2011-03-30 EP disclosed
WO-2011000843-A2 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER HENKEL AG & CO. KGAA (DE) 2011-01-06 WO disclosed
EP-2178963-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF Henkel AG & Co. KGaA (DE) 2010-04-28 EP disclosed
WO-2010004038-A1 CURABLE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2010-01-14 WO disclosed
EP-2076568-A2 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS Henkel AG & Co. KGaA (DE) 2009-07-08 EP disclosed
WO-2009022012-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2009-02-19 WO disclosed
WO-2008043735-A2 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed