SCHEMBL585173

SCHEMBL585173

CC(C)(C)c1cccc(C(C)(C)C)c1O[Al](Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.34
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
NLRP3 Q96P20 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL586101 0.89 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL596342 0.87 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL585058 0.84 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL585613 0.84 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL938828 0.84 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL937814 0.84 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL727523 0.82 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL727582 0.80 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL938249 0.79 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8859905 0.79 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686647-B1 Process for preparing methyl methacrylate with high level of syndiotactic triads ATOCHEM ELF SA (FR) 1998-01-28 EP claimed
US-5670592-A POLYMERIZATION WITH ORGANOLITHIUM COMPOUNDS, PYRIDINE AND ORGANOALUMINUM COMPOUNDS AS CATALYSTS ELF ATOCHEM S.A. (FR) 1997-09-23 US claimed
US-5656704-A POLYMETHYL METHACRYLATE; HIGH STRENGTH, HEAT RESISTANT, RADIATION TRANSPARENT ELF ATOCHEM S.A. (FR) 1997-08-12 US claimed
EP-0686647-A1 Process for preparing methyl methacrylate with high level of syndiotactic triads ELF ATOCHEM S.A. (FR) 1995-12-13 EP claimed
JP-7330819-A None JP disclosed
US-8119749-B2 Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO., LTD. (JP) 2012-02-21 US disclosed
EP-1916262-B1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO (JP) 2012-02-15 EP disclosed
US-20090118450-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO., LTD. (JP) 2009-05-07 US disclosed
EP-1916262-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE Kuraray Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1078942-B1 Anionic polymerization process, and process for producing a polymer by the anionic polymerization process KURARAY CO (JP) 2006-06-07 EP disclosed
EP-1085029-B1 Process for polymerizing a methacrylic ester or an acrylic ester KURARAY CO (JP) 2005-12-14 EP disclosed
US-6878789-B2 Preparation process of acrylic acid ester polymer KURARAY CO., LTD. (JP) 2005-04-12 US disclosed
US-6329480-B1 POLYMERIZING ACRYLIC ACID ESTER, ACRYLIC/METHACRYLIC MONOMER PRESENCE OF AN ORGANOLITHIUM COMPOUND AND AN ORGANOALUMINUM COMPOUND TO FORM BLOCK COPOLYMER KURARAY CO., LTD. (JP) 2001-12-11 US disclosed
EP-1085029-A1 Process for polymerizing a methacrylic ester or an acrylic ester KURARAY CO., LTD. (JP) 2001-03-21 EP disclosed
EP-1078942-A1 Anionic polymerization process, and process for producing a polymer by the anionic polymerization process KURARAY CO., LTD. (JP) 2001-02-28 EP disclosed
EP-0945470-A1 Preparation process of acrylic acid ester polymer KURARAY CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0686647-B1 Process for preparing methyl methacrylate with high level of syndiotactic triads ATOCHEM ELF SA (FR) 1998-01-28 EP disclosed
US-5670592-A POLYMERIZATION WITH ORGANOLITHIUM COMPOUNDS, PYRIDINE AND ORGANOALUMINUM COMPOUNDS AS CATALYSTS ELF ATOCHEM S.A. (FR) 1997-09-23 US disclosed
US-5656704-A POLYMETHYL METHACRYLATE; HIGH STRENGTH, HEAT RESISTANT, RADIATION TRANSPARENT ELF ATOCHEM S.A. (FR) 1997-08-12 US disclosed
JP-H07330819-A PRODUCTION OF POLYMETHYL METHACRYLATE WITH HIGH SYNDIOTACTIC TRIAD CONTENT ELF ATOCHEM SA 1995-12-19 JP disclosed