SCHEMBL3810993

SCHEMBL3810993

CC(C)(N=C=O)C(N=C=O)N=C=O

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
SCHEMBL223545 0.77 TSHR (0.33)
SCHEMBL8085938 0.77
SCHEMBL10226559 0.72 TSHR (0.30)
SCHEMBL9680205 0.72
SCHEMBL20899814 0.70
SCHEMBL9156755 0.70
SCHEMBL4810914 0.70
SCHEMBL4119722 0.64 TSHR (0.38)
SCHEMBL111121 0.64
SCHEMBL24105 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794224-A2 METHOD FOR APPLYING A PU FOAM LAYER Henkel AG&Co. KGAA (DE) 2014-10-29 EP disclosed
WO-2013092584-A2 METHOD FOR APPLYING A PU FOAM LAYER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
EP-1689798-B1 PREPOLYMER COMPOSITION LOW IN MONOMERS, MADE OF UNSYMMETRICAL POLYISOCYANATES AND STERICALLY HINDERED POLYOLS RATHOR AG (CH) 2013-06-26 EP disclosed
EP-1725597-B1 PHASE-STABLE POLYURETHANE PREPOLYMERS RATHOR AG (CH) 2009-08-05 EP disclosed
US-20070270518-A1 Phase-Stable Polyurethane Prepolymers RATHOR AG (CH) 2007-11-22 US disclosed
EP-0683805-B1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 2004-10-20 EP disclosed
US-6750265-B2 FOR POLYURETHANE INSULATING FOAMS WITH FIRE-RETARDANT PROPERTIES FROM PRESSURE TANKS, INCLUDES USE OF SOFTENING PHOSPHATES AND/OR PHOSPHONATES OF GIVEN FORMULA, SUCH AS CRESYL DIPHENYL PHOSPHATE PAULS MATHIAS (CH) 2004-06-15 US disclosed
EP-1078950-B1 Prepolymer composition for preparing an insulating foam RATHOR AG (CH) 2003-11-05 EP disclosed
US-6552097-B1 For producing polyurethane insulating foams from a pressure tanks RATHOR AG (CH) 2003-04-22 US disclosed
US-20030050357-A1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS PAULS MATHIAS (CH) 2003-03-13 US disclosed
EP-1078950-A1 Prepolymer composition for preparing an insulating foam RATHOR AG (CH) 2001-02-28 EP disclosed
EP-1017733-A1 PREPOLYMER COMPOSITION RATHOR AG (CH) 2000-07-12 EP disclosed
US-6054499-A FOR PRODUCING POLYURETHANE INSULATING FOAMS FROM PRESSURE TANKS RATHOR AG (CH) 2000-04-25 US disclosed
WO-1999011687-A1 PREPOLYMER COMPOSITION RATHOR AG (CH) 1999-03-11 WO disclosed
EP-0684960-B1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 1998-08-05 EP disclosed
EP-0684968-B1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 1997-08-06 EP disclosed
EP-0684960-A1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 1995-12-06 EP disclosed
EP-0683805-A1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 1995-11-29 EP disclosed
WO-1994018256-A1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 1994-08-18 WO disclosed
WO-1994018268-A1 PREPOLYMER COMPOSITION FOR INSULATING FOAMS RATHOR AG (CH) 1994-08-18 WO disclosed