SCHEMBL2173976

SCHEMBL2173976

CC(=O)C(C)=CO

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
SCHEMBL12341651 1.00
SCHEMBL2173973 1.00
SCHEMBL13934048 0.79
SCHEMBL34404 0.74
SCHEMBL8302855 0.74
SCHEMBL2579873 0.74
SCHEMBL149416 0.74
SCHEMBL380120 0.72
SCHEMBL380121 0.72
SCHEMBL18469390 0.72 TSHR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204465-A PROCESS FOR THE PRODUCTION OF PIPERAZINYLPYRIMIDINE DERIVATIVES LONZA LTD. (CH) 1993-04-20 US claimed
EP-0491329-A1 Process for the preparation of piperazinyl-pyrimidin derivatives LONZA AG (CH) 1992-06-24 EP claimed
US-20160150782-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2016-06-02 US disclosed
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-20080167480-A1 PROCESSES FOR PREPARING PYRROLES WALLACE MICHAEL 2008-07-10 US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 US disclosed
US-7250520-B2 Processes for preparing pyrroles VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-31 US disclosed
US-5204465-A PROCESS FOR THE PRODUCTION OF PIPERAZINYLPYRIMIDINE DERIVATIVES LONZA LTD. (CH) 1993-04-20 US disclosed
EP-0491329-A1 Process for the preparation of piperazinyl-pyrimidin derivatives LONZA AG (CH) 1992-06-24 EP disclosed