SCHEMBL2492944

SCHEMBL2492944

CCCCOC(N)=S.CCCCOC(N)=S.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 5/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL331242 0.97 CA1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL1692167 0.97
SCHEMBL18447552 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL35746 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL28857708 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL11808736 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL212535 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL820166 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL11213345 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL29058156 0.95 CA1 (0.48) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220413-B Method for producing 4-hydroxybutyl acrylate 大阪有机化学工业株式会社 2018-12-04 CN disclosed
CN-104220413-A Method for producing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEM IND 2014-12-17 CN disclosed
EP-1888724-B1 USE OF CATALYTIC ANTIOXIDANTS EXXONMOBIL RES & ENG CO (US) 2013-05-29 EP disclosed
CN-101168623-B Method for inhibiting polymerization of (meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM & HAAS 2012-12-05 CN disclosed
US-8030257-B2 Catalytic antioxidants EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-10-04 US disclosed
CN-100564341-C Method for inhibiting polymerization of acrylic acid and esters thereof using inhibitor and process for preparing compounds useful as such inhibitor ROHM & HAAS (US) 2009-12-02 CN disclosed
CN-101175843-A Catalytic antioxidants EXXONMOBIL RES & ENG CO (US) 2008-05-07 CN disclosed
CN-101168623-A Method for inhibiting polymerization of (meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM & HAAS (US) 2008-04-30 CN disclosed
CN-100382866-C High capacity purification of thermally unstable compounds ROHM & HAAS (US) 2008-04-23 CN disclosed
EP-1888724-A1 CATALYTIC ANTIOXIDANTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-02-20 EP disclosed
WO-2006124367-A1 CATALYTIC ANTIOXIDANTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2006-11-23 WO disclosed
US-20060258549-A1 Catalytic antioxidants EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2006-11-16 US disclosed
CN-1762965-A Method for inhibiting polymerization of acrylic acid and esters thereof using inhibitor and process for preparing compounds useful as such inhibitor ROHM & HAAS (US) 2006-04-26 CN disclosed
CN-1504253-A High capacity purification of thermally unstable compounds 罗姆和哈斯公司 2004-06-16 CN disclosed