SCHEMBL1230198

SCHEMBL1230198

CC(=O)C(C)C(=O)[O-].CC(=O)C(C)C(=O)[O-].CC(=O)C(C)C(=O)[O-].CCCC[O-].[Zr+4]

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 4/20 0.38
CES1 P23141 6/20 0.35
NFKB1 P19838 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CES2 O00748 5/20 0.34

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
SCHEMBL2952504 0.96 CA1 (0.44) CA1CA2CES1NFKB1CYP3A4
SCHEMBL829311 0.85 CYP3A4 (0.39) CA1CA2CES1NFKB1CYP3A4
SCHEMBL5153152 0.81 TSHR (0.37) CA1CA2NFKB1CYP3A4TSHR
Acetic Acid SCHEMBL28917357 0.80 CES1 (0.46) CA1CA2CES1CES2
SCHEMBL5271134 0.80 CA2 (0.36) CA1CA2CES1CES2
SCHEMBL8055981 0.80 CA1 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL1230029 0.78 CA2 (0.41) CA1CA2CES1NFKB1CYP3A4
SCHEMBL1229548 0.78 CA2 (0.41) CA1CA2CES1NFKB1CYP3A4
SCHEMBL449993 0.78 CA2 (0.41) CA1CA2CES1NFKB1CYP3A4
Acetone SCHEMBL8603875 0.78 CES1 (0.48) CA1CES1TSHRCES2

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 4 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
US-7893170-B2 Curable composition having improved curability and adhesion KANEKA CORPORATION (JP) 2011-02-22 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-1746134-A1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed