SCHEMBL472173

SCHEMBL472173

Cc1cccc(C(C)(C)C)c1C.N=C=O.N=C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CA2 P00918 2/20 0.40
TRPA1 O75762 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NLRP3 Q96P20 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CCR4 P51679 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KIF11 P52732 1/20 0.31
GAA P10253 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
SCHEMBL1483791 1.00 GABRA1 (0.48) GABRA1GABRB2CA2TRPA1ATM
SCHEMBL3167832 0.87 GABRA1 (0.60) GABRA1GABRB2CA2TRPA1ATM
SCHEMBL30660859 0.87 GABRA1 (0.60) GABRA1GABRB2CA2TRPA1ATM
SCHEMBL9863249 0.83 GABRA1 (0.47) GABRA1GABRB2CA2ATMALDH1A1
SCHEMBL27996854 0.80 ESR1 (0.35) GABRA1GABRB2TRPA1ATMALDH1A1
SCHEMBL57485 0.80 TRPA1 (0.46) CA2TRPA1ATMALDH1A1TSHR
SCHEMBL29773079 0.80 TRPA1 (0.46) CA2TRPA1ATMALDH1A1TSHR
SCHEMBL112222 0.80 TRPA1 (0.46) CA2TRPA1ATMALDH1A1TSHR
SCHEMBL2653650 0.79 TRPA1 (0.46) GABRA1GABRB2CA2TRPA1ATM
Benzene SCHEMBL28983347 0.78 TRPA1 (0.44) CA2TRPA1ATMALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266927-B1 Polymer for ultra-high strength concrete admixture and method for preparing the same SILKROAD C & T CO LTD (KR) 2013-10-02 EP claimed
US-20120046393-A1 Nano-hybrid Concrete Chemical Admixture for Chloride Invasion Resistance Consisting of Layered Double Hydroxide/Polyurethane Copolymer SILKROAD C&T CO., LTD. (KP) 2012-02-23 US claimed
EP-2412689-A2 Nano-hybrid concrete chemical admixture for chloride invasion resistance consisting of layered double hydroxide/polyurethane copolymer Silkroad C&T Co., LTD (KR) 2012-02-01 EP claimed
EP-2266927-A1 Polymer for ultra-high strength concrete admixture and method for preparing the same Silkroad C&T Co., LTD (KR) 2010-12-29 EP claimed
US-20100324175-A1 Polymer for Ultra-High Strength Concrete Admixture and Method for Preparing the Same SILKROAD C & T CO., LTD (KR) 2010-12-23 US claimed
CN-117362631-A Poly (arylene ether) composition 高新特殊工程塑料全球技术有限公司 2024-01-09 CN disclosed
CN-114144447-B Poly (arylene ether) composition 高新特殊工程塑料全球技术有限公司 2023-08-22 CN disclosed
CN-116075572-A Cycloaliphatic aldimine mixtures SIKA技术股份公司 2023-05-05 CN disclosed
CN-115926534-A UV curable inkjet ink composition 韩国太阳油墨股份公司 2023-04-07 CN disclosed
CN-114057987-A Water-dispersible polyurethane-urea resin composition for synthetic leather and preparation method thereof 东成化学有限公司 2022-02-18 CN disclosed
US-20220033562-A1 WATER-DISPERSIBLE POLYURETHANE-UREA RESIN COMPOSITION FOR SYNTHETIC LEATHER AND PREPARING METHOD THEREOF DONGSUNG CHEMICAL CO., LTD. (KR) 2022-02-03 US disclosed
CN-107814962-B Window decoration film and manufacturing method thereof 东友精细化工有限公司 2021-10-12 CN disclosed
WO-2007136206-A1 SECONDARY BATTERY HAVING ELECTRODE FOR IMPROVEMENT OF STABILITY DURING OVERCHARGE LG CHEM, LTD. (KR) 2007-11-29 WO disclosed
US-20070264570-A1 BINDER OF POLYVINYL ALCOHOL CROSSLINKED WITH POLYURETHANE AND LITHIUM SECONDARY BATTERY EMPLOYED WITH THE SAME LG CHEM, LTD. (KR) 2007-11-15 US disclosed
US-20060251956-A1 Lithium secondary battery having improved stability to overcharge LG ENERGY SOLUTION, LTD. (KR) 2006-11-09 US disclosed
WO-2006112640-A1 LITHIUM SECONDARY BATTERY HAVING IMPROVED STABILITY TO OVERCHARGE LG CHEM, LTD. (KR) 2006-10-26 WO disclosed
US-6395822-B1 CURABLE DI- OR POLY(METH)ACRYLATE MONOMER, AZO INITIATOR, AND OXYGEN; LOW VOLATILE ORGANIC COMPOUNDS ETNA-TEC, LTD. 2002-05-28 US disclosed
EP-1042410-A1 COATING COMPOSITION The Edgington Company (US) 2000-10-11 EP disclosed
US-6037014-A APPLYING THIN FILM OF COATING COMPOSITION TO SUBSTRATE, COMPOSITION COMPRISING A MONOMER OR OLIGOMER CONTAINING TWO OR MORE ACRYLATE AND/OR METHACRYLATE FUNCTIONAL GROUPS, AZO INITIATOR AND OXYGEN, HEATING, CURING; LOW VOLATILE MATERIAL THE EDGINGTON CO. (US) 2000-03-14 US disclosed
WO-1999024512-A1 COATING COMPOSITION THE EDGINGTON COMPANY (US) 1999-05-20 WO disclosed