SCHEMBL744587

SCHEMBL744587

CCC(C)CC(C)(C)CC(CCC(C)(C)C(C)CN=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
SCHEMBL8997371 0.78
SCHEMBL2681724 0.73
SCHEMBL810782 0.70
SCHEMBL10494197 0.70
SCHEMBL21575635 0.69
SCHEMBL1065714 0.68
SCHEMBL8425974 0.67
SCHEMBL25428364 0.66
SCHEMBL1013148 0.66
SCHEMBL13386484 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218221-A1 Moisture-Curable Polyurethane Hot Melt Adhesive Composition HENKEL AG & CO KGAA (DE) 2024-07-04 US claimed
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP claimed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US claimed
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP claimed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO claimed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
WO-2010102718-A1 REACTIVE POLYURETHANE COMPOSITIONS BAYER MATERIALSCIENCE AG (DE) 2010-09-16 WO claimed
US-12043731-B2 Use of polyvinylacetate polymers or copolymers to increase the viscosity of the isocyanate component of a two-component curable polymeric system HENKEL AG & CO. KGAA (DE) 2024-07-23 US disclosed
US-20240218221-A1 Moisture-Curable Polyurethane Hot Melt Adhesive Composition HENKEL AG & CO KGAA (DE) 2024-07-04 US disclosed
US-20230323173-A1 OIL RESISTANT ADHESIVE COMPOSITION HENKEL AG & CO KGAA (DE) 2023-10-12 US disclosed
EP-3856813-A1 USE OF POLYVINYLACETATE POLYMERS OR COPOLYMERS TO INCREASE THE VISCOSITY OF THE ISOCYANATE COMPONENT OF A TWO-COMPONENT CURABLE POLYMERIC SYSTEM Henkel IP & Holding GmbH (DE) 2021-08-04 EP disclosed
EP-3856396-A1 HYDROGENATED NATURAL OILS TO THICKEN THE POLYOL COMPONENT OF A TWO-COMPONENT POLYURETHANE ADHESIVE FOR BONDING MEMBRANES Henkel IP & Holding GmbH (DE) 2021-08-04 EP disclosed
EP-2948487-B1 MOISTURE-CURING POLYURETHANE COMPOSITION COMPRISING RENEWABLE RAW MATERIALS HENKEL AG & CO KGAA (DE) 2021-07-28 EP disclosed
EP-2585510-A1 TPU LAMINATING ADHESIVE Henkel AG & Co. KGaA (DE) 2013-05-01 EP disclosed
WO-2012171777-A1 2K POLYURETHANE ADHESIVE HAVING AN ALIPHATIC CROSSLINKING AGENT HENKEL AG & CO. KGAA (DE) 2012-12-20 WO disclosed
EP-2089446-B1 ISOCYANATE PREPOLYMER HAVING NCO GROUPS OF DIFFERING REACTIVITY HENKEL AG & CO KGAA (DE) 2012-07-11 EP disclosed
US-20120115998-A1 ADHESIVES WITH ACOUSTIC DAMPING EFFECT HENKEL AG & CO. KGAA (DE) 2012-05-10 US disclosed
WO-2011160912-A1 TPU LAMINATING ADHESIVE HENKEL AG & CO. KGAA (DE) 2011-12-29 WO disclosed
US-20100210748-A1 REACTIVE POLYURETHANE COMPOSITIONS BAYER MATERIALSCIENCE AG (DE) 2010-08-19 US disclosed
EP-2208743-A1 Reactive polyurethane compounds Bayer MaterialScience AG (DE) 2010-07-21 EP disclosed