SCHEMBL1132735

SCHEMBL1132735

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2156822 1.00 TSHR (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL407252 1.00 TSHR (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL1230516 0.95 CYP3A4 (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL1230379 0.95 CYP3A4 (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL1229335 0.95 CYP3A4 (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL342872 0.95 CYP3A4 (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL1230462 0.95 CYP3A4 (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL10982849 0.95 CYP3A4 (0.34) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL2157296 0.93 TSHR (0.33) TSHRCYP3A4NFKB1NPSR1CA1
SCHEMBL230829 0.93 TSHR (0.39) TSHRCYP3A4NFKB1NPSR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017234-B2 Structural object coated with superhydrophobic nanostructure composite and process for producing the same DIC CORPORATION (JP) 2011-09-13 US disclosed
US-8017542-B2 Method for production of doped titanium oxide, doped titanium oxide, and visible light-responsive photocatalyst comprising the doped titanium oxide KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2011-09-13 US disclosed
US-20110195181-A1 SUPERHYDROPHOBIC POWDERS, STRUCTURE WITH SUPERHYDROPHOBIC SURFACE, AND PROCESSES FOR PRODUCING THESE DIC CORPORATION (JP) 2011-08-11 US disclosed
US-20110160374-A1 STRUCTUAL OBJECT COATED WITH SUPERHYDROPHBIC NANOSTRUCTURE COMPOSITE AND PROCESS FOR PRODUCING THE SAME KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2011-06-30 US disclosed
EP-2317006-A1 ULTRAHYDROPHOBIC POWDER, STRUCTURE WITH ULTRAHYDROPHOBIC SURFACE, AND PROCESSES FOR PRODUCING THESE KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2011-05-04 EP disclosed
EP-2286991-A1 STRUCTURES COATED WITH ULTRAHYDROPHOBIC NANOSTRUCTURE COMPOSITE AND PROCESSES FOR PRODUCING THE SAME KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2011-02-23 EP disclosed
US-20100062928-A1 METHOD FOR PRODUCTION OF DOPED TITANIUM OXIDE, DOPED TITANIUM OXIDE, AND VISIBLE LIGHT-RESPONSIVE PHOTOCATALYST COMPRISING THE DOPED TITANIUM OXIDE KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2010-03-11 US disclosed
EP-2116304-A1 METHOD FOR PRODUCTION OF DOPED TITANIUM OXIDE, DOPED TITANIUM OXIDE, AND VISIBLE LIGHT-RESPONSIVE PHOTOCATALYST COMPRISING THE DOPED TITANIUM OXIDE KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2009-11-11 EP disclosed
US-5693279-A DISSOLVING STARCH ACETATE INTO SOLVENT SOLUTION CONTAINING METAL CHELATE AND RETRIEVING FIBERS OR FILMS FORMED IN THE SOLUTION HOECHST CELANESE CORP. (US) 1997-12-02 US disclosed
WO-1997034032-A1 STARCH ACETATE AND BLENDS THEREOF WITH METAL CHELATES HOECHST CELANESE CORPORATION (US) 1997-09-18 WO disclosed