SCHEMBL5142572

SCHEMBL5142572

CCOC(=O)COC#N

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
SCHEMBL23130115 0.81 DGKA (0.32)
SCHEMBL1100417 0.79
SCHEMBL7358624 0.78 CYP1A2 (0.45)
SCHEMBL21891775 0.77 ADRA2A (0.32)
SCHEMBL18828861 0.77 TSHR (0.36)
SCHEMBL23709967 0.76
SCHEMBL70685 0.76
SCHEMBL23129743 0.76 MAPK1 (0.31)
SCHEMBL10836027 0.76 NLRP3 (0.46)
Hydrochloric Acid SCHEMBL25408509 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-05 US disclosed
EP-2099845-B1 MULTI-FUNCTIONAL POLYALKYLENE OXIDES, HYDROGELS AND TISSUE ADHESIVES ACTAMAX SURGICAL MAT LLC (US) 2020-12-23 EP disclosed
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-1813616-A2 Pyrazoloquinolines with immunomodulating activity Active Biotech AB (SE) 2007-08-01 EP disclosed
EP-1562944-B1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY ACTIVE BIOTECH AB (SE) 2007-02-14 EP disclosed
US-20060217411-A1 Immunomodulatory compounds ACTIVE BIOTECH AB 2006-09-28 US disclosed
US-7081456-B2 Immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2006-07-25 US disclosed
US-20050203118-A9 Immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2005-09-15 US disclosed
EP-1562944-A1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY Active Biotech AB (SE) 2005-08-17 EP disclosed
US-20040116461-A1 Immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2004-06-17 US disclosed
WO-2004048378-A1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY ACTIVE BIOTECH AB (SE) 2004-06-10 WO disclosed
US-4452798-A 1-Substituted phenyl-4-alkyl hydantoin piperazine compounds as antihypertensive agents WARNER-LAMBERT COMPANY (US) 1984-06-05 US disclosed
EP-0103357-A2 Substituted phenylpiperazine compounds suitable as antihypertensive agents, and processes for their production WARNER-LAMBERT COMPANY (US) 1984-03-21 EP disclosed