SCHEMBL2157296

SCHEMBL2157296

CC(=O)C(C)[O-].CC(=O)C(C)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].[Ti+4]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
CA1 P00915 2/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA2 P00918 2/20 0.32
GAA P10253 1/20 0.32
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
SCHEMBL1132735 0.93 TSHR (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL407252 0.93 TSHR (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL2156822 0.93 TSHR (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL230829 0.91 TSHR (0.39) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL342872 0.89 CYP3A4 (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL1230462 0.89 CYP3A4 (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL1230379 0.89 CYP3A4 (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL1229335 0.89 CYP3A4 (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL10982849 0.89 CYP3A4 (0.34) TSHRCA1CYP3A4NFKB1NPSR1
SCHEMBL1230516 0.89 CYP3A4 (0.34) TSHRCA1CYP3A4NFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746135-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-05-29 EP disclosed
EP-1749858-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-04-03 EP disclosed
EP-1749857-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-03-27 EP disclosed
US-7973108-B2 Curable composition KANEKA CORPORATION (JP) 2011-07-05 US disclosed
US-7763673-B2 Polyoxyalkylene glycol or a methacrylate polymer containing a crosslinkable silicon group; a titaniuim chelate of an alkyl acetoacetoate or derivative; and an amide wax thickener; highly curable KANEKA CORPORATION (JP) 2010-07-27 US disclosed
US-7625990-B2 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) 2009-12-01 US disclosed
US-20080319152-A1 Curable Composition KANEKA CORPORATION (JP) 2008-12-25 US disclosed
US-20080287636-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) 2008-11-20 US disclosed
US-7446158-B2 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) 2008-11-04 US disclosed
US-20080033087-A1 Polyoxyalkylene glycol or a methacrylate polymer containing a crosslinkable silicon group; a titaniuim chelate of an alkyl acetoacetoate or derivative; and an amide wax thickener; highly curable KANEKA CORPORATION (JP) 2008-02-07 US disclosed
US-20070219299-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 2007-09-20 US disclosed
EP-1752496-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-14 EP disclosed
EP-1749857-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed
EP-1746135-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-01-24 EP disclosed