SCHEMBL153802

SCHEMBL153802

CC(C)O[Zr+3].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
TSHR P16473 3/20 0.31
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2671580 0.84 CA1 (0.31) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL10977669 0.84 CA1 (0.31) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL2467619 0.84 GAA (0.33) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL10983771 0.84 CA1 (0.31) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL18298288 0.84 CA1 (0.31) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL21219181 0.83 CYP3A4 (0.39) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL21219171 0.83 CYP3A4 (0.39) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL10415391 0.83 CYP3A4 (0.39) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL21519878 0.83 CYP3A4 (0.39) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL21219179 0.83 CYP3A4 (0.39) CA1TSHRCYP3A4NFKB1NPSR1

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-20120059130-A1 CURABLE COMPOSITIONS CONSISTING OF SILANES WITH THREE HYDROLYSABLE GROUPS HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-20100216950-A1 CURABLE COMPOSITIONS CONSISTING OF SILANES WITH THREE HYDROLYSABLE GROUPS HENKEL AG & CO. KGAA (DE) 2010-08-26 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