SCHEMBL1229549

SCHEMBL1229549

CC(=O)CC(C)=O.CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].[Zr+2]

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3336317 0.96 TSHR (0.33) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL3342163 0.91 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
Acetoacetic Acid SCHEMBL1081472 0.88 CA4 (0.35) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL10415391 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219169 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219171 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21519878 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219167 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219181 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL968034 0.86 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746134-B1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS KANEKA CORP (JP) 2019-09-04 EP disclosed
EP-1746135-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-05-29 EP disclosed
US-8563675-B2 Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO. KGAA (DE) 2013-10-22 US disclosed
US-7973108-B2 Curable composition KANEKA CORPORATION (JP) 2011-07-05 US disclosed
US-7910681-B2 Curable composition having improved adhesion KANEKA CORPORATION (JP) 2011-03-22 US disclosed
US-7893170-B2 Curable composition having improved curability and adhesion KANEKA CORPORATION (JP) 2011-02-22 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-20080319152-A1 Curable Composition KANEKA CORPORATION (JP) 2008-12-25 US disclosed
US-20080194773-A1 Polysiloxane from silanetriol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-08-14 US disclosed
US-20080076878-A1 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-03-27 US disclosed
EP-1746135-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-01-24 EP disclosed
EP-1746133-A1 CURABLE COMPOSITION IMPROVED IN ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed
EP-1746134-A1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed