SCHEMBL4397702

SCHEMBL4397702

C=C(CN)NCC

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
SCHEMBL21710370 0.78
SCHEMBL13995553 0.75
SCHEMBL20255427 0.74
SCHEMBL7487178 0.72 EPHX1 (0.46)
SCHEMBL23128325 0.72
SCHEMBL23971492 0.71 PAOX (0.41)
SCHEMBL27377802 0.71
SCHEMBL13636324 0.71
SCHEMBL10078123 0.69
SCHEMBL12667976 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417210-B1 HYDROSILYLATION PROCESS DOW CORNING (US) 2009-12-09 EP claimed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
WO-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 WO disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
EP-1417210-B1 HYDROSILYLATION PROCESS DOW CORNING (US) 2009-12-09 EP disclosed
US-7208619-B2 Hydrosilylation process DOW CORNING LIMITED (GB) 2007-04-24 US disclosed
US-20040220420-A1 Hydrosilylation process DOW SILICONES CORPORATION 2004-11-04 US disclosed
EP-1417210-A1 HYDROSILYLATION PROCESS Dow Corning Corporation (US) 2004-05-12 EP disclosed
WO-2003014129-A1 HYDROSILYLATION PROCESS DOW CORNING CORPORATIOM (US) 2003-02-20 WO disclosed