SCHEMBL1401768

SCHEMBL1401768

CN(C)CCN(CCN(C)C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 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
SCHEMBL9129669 0.90 KDM5A (0.39) CA12CA2CA3CA4CA6
SCHEMBL18762850 0.84 ALDH1A1 (0.48) ALDH1A1TDP1HRH4CYP1A2HRH2
SCHEMBL35601 0.84 ALDH1A1 (0.41) ALDH1A1TDP1HRH4CYP1A2HRH2
SCHEMBL27926763 0.79 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL1531387 0.79 CA12 (0.41) CA12CA9ALDH1A1TDP1HRH4
SCHEMBL3770971 0.78 CA12 (0.38) CA12CA2CA3CA4CA6
SCHEMBL28916907 0.77 TDP1 (0.42) CHRM2ALDH1A1TDP1HRH4CYP1A2
Hydrochloric Acid SCHEMBL27811822 0.77 CA12 (0.39) CA12CA9ALDH1A1TDP1HRH4
Iodomethane SCHEMBL7516696 0.75 CA12 (0.38) CA12CA9ALDH1A1TDP1HRH4
SCHEMBL42388 0.74 CA12 (0.52) CA12CA2CA9CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023683-B2 Catalyst compositions for improving polyurethane foam performance EVONIK DEGUSSA GMBH (DE) 2018-07-17 US claimed
US-9657129-B2 Cyclic amine compound and process for producing polyurethane resin by using it TOSOH CORPORATION (JP) 2017-05-23 US claimed
US-9243103-B2 Polyurethane foam for flame-laminating INOAC CORPORATION (JP) 2016-01-26 US claimed
EP-2657237-B1 CYCLIC AMINE COMPOUND, AND PROCESS FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2015-05-20 EP claimed
US-20130289232-A1 NOVEL CYCLIC AMINE COMPOUND AND PROCESS FOR PRODUCING POLYURETHANE RESIN BY USING IT TOSOH CORPORATION (JP) 2013-10-31 US claimed
EP-2657237-A1 NOVEL CYCLIC AMINE COMPOUND, AND PROCESS FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2013-10-30 EP claimed
US-20110091689-A1 POLYURETHANE FOAM FOR FLAME-LAMINATING INOAC CORPORATION (JP) 2011-04-21 US claimed
EP-2292676-A1 POLYURETHANE FOAM FOR FLAME-LAMINATING Inoac Corporation (JP) 2011-03-09 EP claimed
EP-1867669-B1 Catalyst compositions for improving polyurethane foam performance AIR PROD & CHEM (US) 2008-11-26 EP claimed
EP-1867669-A1 Catalyst compositions for improving polyurethane foam performance Air Products and Chemicals, Inc. (US) 2007-12-19 EP claimed
US-6825238-B2 BISMUTH CARBOXYLATE OR BISMUTH SULFONATE HAVING LESS THAN 34% FREE ACID AS THE ORGANOMETALLIC CATALYST AIR PRODUCTS AND CHEMICALS, INC. 2004-11-30 US claimed
US-6818675-B2 USING REACTION PRODUCT OF TERTIARY AMINE AND ACID AS POLYMERIZATION CATALYST GENERAL ELECTRIC COMPANY 2004-11-16 US claimed
EP-0877042-B1 Reactive catalyst compositions for improving water blown polyurethane foam performance AIR PROD & CHEM (US) 2004-09-22 EP claimed
EP-1443065-A1 Low acid organometallic catalyst for the production of flexible, semi-flexible and rigid polyurethane foams AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-08-04 EP claimed
US-20040147626-A1 LOW ACID ORGANOMETALLIC CATALYST FOR THE PRODUCTION OF FLEXIBLE, SEMI-FLEXIBLE AND RIGID POLYURETHANE FOAMS EVONIK DEGUSSA GMBH (DE) 2004-07-29 US claimed
WO-2004013201-A1 PROCESS FOR PREPARING POLYURETHANE FOAM GENERAL ELECTRIC COMPANY (US) 2004-02-12 WO claimed
US-20040029986-A1 Process for preparing polyurethane foam CROMPTON CORPORATION 2004-02-12 US claimed
US-6232356-B1 INCREASING LOAD BEARING PROPERTIES OF POLYURETHANE FOAM USING UREA CATALYST AIR PRODUCTS AND CHEMICALS, INC. 2001-05-15 US claimed
US-6201033-B1 IMPROVING COMPRESSIVE STRENGTH AND/OR AIRFLOW OF A FLEXIBLE POLYURETHANE FOAM BY REACTION OF A POLYISOCYANATE WITH A POLYOL AND WATER AS BLOWING AGENT CATALYZED BY A TERTIARY AMINE FREE OF UREA GROUPS AND A UREA COMPOUND AIR PRODUCTS AND CHEMICAL, INC. 2001-03-13 US claimed
EP-0877042-A1 Reactive catalyst compositions for improving water blown polyurethane foam performance AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-11-11 EP claimed