SCHEMBL1408736

SCHEMBL1408736

CCOC(C)(C)O.CCON(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL604334 0.84
SCHEMBL5432786 0.82
Ammonia Solution, Strong SCHEMBL28099738 0.81
SCHEMBL260629 0.78
SCHEMBL5439328 0.76
SCHEMBL5442848 0.75
Trimethylammonium SCHEMBL28021240 0.74 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL3256853 0.74
Water SCHEMBL28118741 0.74
Bromide SCHEMBL27510907 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295438-B2 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND TOSOH CORP (JP) 2025-03-26 EP disclosed
EP-2295438-B1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND TOSOH CORP (JP) 2015-03-18 EP disclosed
US-8513318-B2 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2013-08-20 US disclosed
US-20110077376-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING IT TOSOH CORPORATION (JP) 2011-03-31 US disclosed
EP-2295438-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND Tosoh Corporation (JP) 2011-03-16 EP disclosed
US-7183331-B2 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2007-02-27 US disclosed
US-20070021517-A1 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2007-01-25 US disclosed
US-20040162360-A1 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2004-08-19 US disclosed
US-6777456-B2 REACTING POLYOL WITH POLYISOCYANATE IN PRESENCE OF AMINE CATALYST AND BLOWING AGENT, WHEREIN AS AMINE CATALYST, AMINE COMPOUND HAVING SUBSTITUENT SELECTED FROM HYDROXYL GROUP, PRIMARY AMINO GROUP AND SECONDARY AMINO GROUP IS USED TOSOH CORPORATION (JP) 2004-08-17 US disclosed
US-20030083393-A1 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2003-05-01 US disclosed
EP-1273604-A1 Method for producing a rigid polyurethane foam Tosoh Corporation (JP) 2003-01-08 EP disclosed