SCHEMBL2059902

SCHEMBL2059902

CCN(CC)CC.COCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.39
DNM1 Q05193 3/20 0.39
HRH3 Q9Y5N1 4/20 0.34
LSS P48449 1/20 0.33
PIK3CD O00329 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL419073 0.87
SCHEMBL14094027 0.86 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2TSHRDNM1
SCHEMBL1018851 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHRH3
Bromide SCHEMBL15361748 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHRH3
Iodide SCHEMBL15361734 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHRH3
Hydrochloric Acid SCHEMBL15361701 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HRH3
Water SCHEMBL15361516 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHRH3
Fluoride SCHEMBL15361776 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHRH3
SCHEMBL2510802 0.79
SCHEMBL25075481 0.78 ALDH1A1 (0.43) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592516-B2 Polyurethane spraying system used to minimize emissions of a polyisocyanate BASF SE (DE) 2017-03-14 US disclosed
US-8828495-B2 Method for minimizing emissions while forming a polyurethane foam BASF SE (DE) 2014-09-09 US disclosed
US-20130119152-A1 POLYURETHANE SPRAYING SYSTEM USED TO MINIMIZE EMISSIONS OF A POLYISOCYANATE BASF SE (DE) 2013-05-16 US disclosed
US-20110059255-A1 METHOD FOR MINIMIZING EMISSIONS WHILE FORMING A POLYURETHANE FOAM BASF SE (DE) 2011-03-10 US disclosed
US-6534556-B2 Formulation for use in a polyurethane froth spraying system, of hydrofluorocarbon blowing agent, a Mannich polyol, another polyol, a catalyst system, and a surfactant, said mixture has given hydroxyl content; making rigid closed cell foams BASF CORPORATION 2003-03-18 US disclosed
US-20020198275-A1 Formulation for use in a polyurethane froth spraying system, of hydrofluorocarbon blowing agent, a Mannich polyol, another polyol, a catalyst system, and a surfactant, said mixture has given hydroxyl content; making rigid closed cell foams BASF CORPORATION 2002-12-26 US disclosed
EP-1233035-A1 Sprayable polyisocyanate foam composition Basf Corporation (US) 2002-08-21 EP disclosed