SCHEMBL327522

SCHEMBL327522

C=CC(O)[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
SCHEMBL313772 0.69
SCHEMBL2354013 0.69
SCHEMBL13506266 0.69
SCHEMBL7699208 0.67
SCHEMBL4231036 0.67 ABCG2 (0.48)
SCHEMBL642467 0.67
SCHEMBL1144432 0.67
SCHEMBL20745903 0.67
SCHEMBL8535551 0.67
SCHEMBL18108838 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023138691-A1 FUSED HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAS SIGNALLING SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-27 WO claimed
EP-1940814-B1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-22 EP claimed
US-8067419-B2 N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-29 US claimed
US-20110136806-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, the use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 US claimed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US claimed
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 EP claimed
CN-101300241-A Piperazine derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD (CH) 2008-11-05 CN claimed
US-20080234272-A1 Novel Piperazines as Antimalarial Agents ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 US claimed
EP-1940814-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2008-07-09 EP claimed
WO-2007046075-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2007-04-26 WO claimed
US-6710048-B2 SELECTIVE INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE; TO TREAT SOLID-TUMOR CANCERS, ANGIOGENESIS, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS, ENDOMETRIOSIS AND PSORIASIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-23 US claimed
EP-1330452-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP claimed
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-27 US claimed
WO-2002024681-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO claimed
WO-1998022151-A1 TRACE CAPTURE IN BIOLOGICAL FLUIDS SHANBROM EDWARD (US) 1998-05-28 WO claimed
EP-0533244-B1 Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists MERCK & CO INC (US) 1997-12-17 EP claimed
EP-0114658-B1 ALKYL-SUBSTITUTED 4-METHYL-PIPERIDINE DERIVATIVES AND USE THEREOF AS STABILIZERS AUSIMONT S.p.A. (IT) 1988-07-27 EP claimed
WO-2023138691-A1 FUSED HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAS SIGNALLING SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-27 WO disclosed
WO-1998022151-A1 TRACE CAPTURE IN BIOLOGICAL FLUIDS SHANBROM EDWARD (US) 1998-05-28 WO disclosed
EP-0114658-B1 ALKYL-SUBSTITUTED 4-METHYL-PIPERIDINE DERIVATIVES AND USE THEREOF AS STABILIZERS AUSIMONT S.p.A. (IT) 1988-07-27 EP disclosed