SCHEMBL4769708

SCHEMBL4769708

CC(C)O[Ti+2]OC(C)C.CCCC(=O)C(C(=O)[O-])C(=O)CCC.CCCC(=O)C(C(=O)[O-])C(=O)CCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CA1 P00915 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28564718 0.84 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL5585989 0.81 FFAR3 (0.58) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6138485 0.80 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL50797 0.75 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10518892 0.75 TSHR (0.32) TSHR
Propionic Acid SCHEMBL7105055 0.74 CA2 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL22557967 0.73 CA2 (0.44) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL28558317 0.73
L-Lactic Acid SCHEMBL7041762 0.72 TP53 (0.35) TSHR
Acetic Acid SCHEMBL16110535 0.71 CA1 (0.44) CA1TSHR

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-1683821-B1 Composite particles and production process thereof, aqueous dispersion composition for chemical polishing, and process for manufacture of semiconductor device JSR CORP (JP) 2013-01-02 EP disclosed
EP-1020488-B1 Composite particles and production process thereof, aqueous dispersion composition for chemical polishing, and process for manufacture of semiconductor device TOSHIBA KK (JP) 2008-12-31 EP disclosed
EP-1683821-A1 Composite particles and production process thereof, aqueous dispersion composition for chemical polishing, and process for manufacture of semiconductor device JSR Corporation (JP) 2006-07-26 EP disclosed
EP-1058274-B1 Composition for film formation and material for insulating film formation JSR CORP (JP) 2005-07-27 EP disclosed
EP-1036836-B1 Aqueous dispersion for chemical mechanical polishing TOSHIBA KK (JP) 2004-11-03 EP disclosed
US-6740590-B1 AQUEOUS DISPERSION, AQUEOUS DISPERSION FOR CHEMICAL MECHANICAL POLISHING USED FOR MANUFACTURE OF SEMICONDUCTOR DEVICES, METHOD FOR MANUFACTURE OF SEMICONDUCTOR DEVICES, AND METHOD FOR FORMATION OF EMBEDDED WRITING KABUSHIKI KAISHA TOSHIBA (JP) 2004-05-25 US disclosed
US-6454819-B1 POLYMER PARTICLES HAVING A SILOXANE BOND-COUPLING SECTION AND A METAL COMPOUND SECTION ON SAID POLYMER PARTICLES; METALLOXANE BOND-CONTAINING SECTION, ALUMINA, CERIA, OR ZIRCONIA PARTICLE; STRENGTH, HEAT RESISTANCE KABUSHIKI KAISHA TOSHIBA (JP) 2002-09-24 US disclosed
US-6376634-B1 ORGANOSILICON POLYMERS JSR CORPORATION (JP) 2002-04-23 US disclosed
US-6235101-B1 SILICON HYDROLYZATE, METAL CHELATE, ORGANIC SOLVENT AND BETA DIKETONE FOR FILMS JSR CORPORATION (JP) 2001-05-22 US disclosed
EP-1058274-A1 Composition for film formation and material for insulating film formation JSR Corporation (JP) 2000-12-06 EP disclosed
EP-1036836-A1 Aqueous dispersion for chemical mechanical polishing KABUSHIKI KAISHA TOSHIBA (JP) 2000-09-20 EP disclosed
EP-1020488-A2 Composite particles and production process thereof, aqueous dispersion composition for chemical polishing, and process for manufacture of semiconductor device Kabushiki Kaisha Toshiba (JP) 2000-07-19 EP disclosed
EP-0921561-A2 Composition for film formation and film JSR Corporation (JP) 1999-06-09 EP disclosed