SCHEMBL1133602

SCHEMBL1133602

CC(C)O[Ti].CCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL2586197 1.00 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10578301 0.88 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL426859 0.87 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28111990 0.86 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
Isopropyl Alcohol SCHEMBL4264567 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Isopropyl Alcohol SCHEMBL4612528 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2585814 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15500 0.85
SCHEMBL1332259 0.85
SCHEMBL1331782 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708881-B1 GASKET MATERIAL NOK CORP (JP) 2023-05-03 EP disclosed
US-11466642-B2 Gasket material NOK CORPORATION (JP) 2022-10-11 US disclosed
US-11312850-B2 Gasket material NOK CORPORATION (JP) 2022-04-26 US disclosed
US-20210189996-A1 GASKET MATERIAL NOK CORPORATION (JP) 2021-06-24 US disclosed
EP-3816216-A1 RESIN COMPOSITION FOR FOAM, FOAM, AND PRODUCTION METHOD OF FOAM KANEKA CORPORATION (JP) 2021-05-05 EP disclosed
US-20200362153-A1 GASKET MATERIAL NOK CORPORATION (JP) 2020-11-19 US disclosed
EP-3715680-A1 GASKET MATERIAL Nok Corporation (JP) 2020-09-30 EP disclosed
EP-3708881-A1 GASKET MATERIAL Nok Corporation (JP) 2020-09-16 EP disclosed
US-9273224-B2 Coating agent composition DOW CORNING TORAY CO., LTD. (JP) 2016-03-01 US disclosed
EP-2285922-B1 COATING AGENT COMPOSITION DOW CORNING TORAY CO LTD (JP) 2015-05-13 EP disclosed
EP-2174723-B1 METHOD FOR PRODUCING NITRILE RUBBER METAL LAMINATE NOK CORP (JP) 2014-03-12 EP disclosed
US-20110124800-A1 Coating Agent Composition DOW TORAY CO., LTD. (JP) 2011-05-26 US disclosed
EP-2285922-A1 COATING AGENT COMPOSITION Dow Corning Toray Co., Ltd. (JP) 2011-02-23 EP disclosed
US-20100190018-A1 PROCESS FOR PRODUCING NITRILE RUBBER-METAL LAMINATE NOK CORPORATION (JP) 2010-07-29 US disclosed
EP-2174723-A1 METHOD FOR PRODUCING NITRILE RUBBER METAL LAMINATE NOK Corporation (JP) 2010-04-14 EP disclosed
WO-2009151088-A1 COATING AGENT COMPOSITION DOW CORNING TORAY CO., LTD. (JP) 2009-12-17 WO disclosed
US-6472079-B2 PRODUCT OF HYDROLYSIS AND CONDENSATION OF AN ORGANOSILICON COMPOUND; 1A OR 2A COMPOUND, ESPECIALLY CARBOXYLIC SALT; SOLVENT; EXCELLENT CRACKING RESISTANCE AFTER A PCT (PRESSURE COOKER TEST). JSR CORPORATION (JP) 2002-10-29 US disclosed
US-20020045693-A1 Composition for film formation, method of film formation and silica-based film JSR CORPORATION (JP) 2002-04-18 US disclosed