SCHEMBL1361045

SCHEMBL1361045

CCC(C(C)=O)C(=O)[O-].CCCCO[Zr+](OCCCC)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA1 P00915 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 1/20 0.32

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
SCHEMBL819567 0.81 ALDH1A1 (0.42) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL2671974 0.81 CA2 (0.42) CA2CA1ALDH1A1ATM
SCHEMBL8573513 0.81 CA1 (0.43) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL1434561 0.81 ALDH1A1 (0.38) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL542928 0.80 ALDH1A1 (0.37) CA2CA1ALDH1A1TSHRATM
SCHEMBL2672084 0.80 ALDH1A1 (0.37) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL21544058 0.80 ALDH1A1 (0.37) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL5148472 0.80 ALDH1A1 (0.37) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL17106070 0.80 CA2 (0.41) CA2CA1ALDH1A1CYP3A4TSHR
SCHEMBL6152614 0.79 CA2 (0.50) CA2CA1CYP3A4TSHRNFKB1

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-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-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed
EP-0049083-B1 LAMINATED FILM TORAY INDUSTRIES, INC. (JP) 1985-01-02 EP disclosed
US-4386130-A POLYMER, THIN METAL LAYER, RADIATION TRANSPARENT LAYER OF ZIRONIUM AND SILICON COMPOUNDS TORAY INDUSTRIES, INC. (JP) 1983-05-31 US disclosed
EP-0049083-A1 Laminated film TORAY INDUSTRIES, INC. (JP) 1982-04-07 EP disclosed