SCHEMBL3896010

SCHEMBL3896010

O=C(NCCCN1CCCCC1)NCCCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 1/20 0.53
HTR3A P46098 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.51
RAD52 P43351 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ACHE P22303 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL17525452 0.98 KDM4E (0.54) EPHX1GAASMN1; SMN2CYP1A2MAPK1
SCHEMBL25477818 0.96 RAD52 (0.55) EPHX1GAASMN1; SMN2CYP1A2MAPK1
SCHEMBL25477820 0.94 RAD52 (0.53) EPHX1GAASMN1; SMN2CYP1A2MAPK1
SCHEMBL4417188 0.89 MAPT (0.53) EPHX1GAASMN1; SMN2HTR3AKDM4E
SCHEMBL25477811 0.88 KDM4E (0.59) HTR3AKDM4ERAD52CA12CA1
SCHEMBL25480324 0.88 KDM4E (0.49) EPHX1GAASMN1; SMN2HTR3AKDM4E
SCHEMBL25480322 0.88 RAD52 (0.49) EPHX1GAAHTR3AKDM4EHSD17B10
SCHEMBL5488104 0.88 KDM4E (0.57) GAASMN1; SMN2CYP1A2MAPK1KDM4E
SCHEMBL3893911 0.87 CA12 (0.63) CYP1A2KDM4ECA12CA1CA2
SCHEMBL17525453 0.86 MAPT (0.51) EPHX1GAASMN1; SMN2CYP1A2MAPK1

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 53 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
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
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-20070287761-A1 Catalyst compositions for improving polyurethane foam performance EVONIK OPERATIONS GMBH (DE) 2007-12-13 US claimed
EP-1443065-B1 Low acid organometallic catalyst for the production of flexible, semi-flexible and rigid polyurethane foams AIR PROD & CHEM (US) 2006-09-13 EP claimed
EP-1534766-A1 PROCESS FOR PREPARING POLYURETHANE FOAM GENERAL ELECTRIC COMPANY (US) 2005-06-01 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