SCHEMBL1498735

SCHEMBL1498735

CC(C)(O)C[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
SCHEMBL41539 0.80
SCHEMBL15637781 0.78
SCHEMBL27433038 0.73
SCHEMBL27344394 0.72
SCHEMBL664039 0.72
SCHEMBL9342 0.72
SCHEMBL20141352 0.69
SCHEMBL6989643 0.69
SCHEMBL20141641 0.69
SCHEMBL2977737 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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525930-A1 MICROORGANISMS AND METHODS FOR THE CO-PRODUCTION OF ETHYLENE GLYCOL AND ISOBUTENE Braskem S.A. (BR) 2019-08-21 EP claimed
EP-3430151-A1 MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS William Marsh Rice University (US) 2019-01-23 EP claimed
WO-2018071563-A1 MICROORGANISMS AND METHODS FOR THE CO-PRODUCTION OF ETHYLENE GLYCOL AND ISOBUTENE BRASKEM S.A. (BR) 2018-04-19 WO claimed
WO-2017161041-A1 MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2017-09-21 WO claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO claimed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US claimed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP claimed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN claimed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP claimed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO claimed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US claimed
US-6706724-B2 ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT NITROMED, INC. 2004-03-16 US claimed
US-20240182932-A1 SYNTHESIS OF ISOPRENOIDS AND DERIVATIVES WILLIAM MARSH RICE UNIVERSITY (US) 2024-06-06 US disclosed
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 US disclosed
US-20220145336-A1 MEANS AND METHODS FOR PRODUCING ISOBUTENE FROM ACETYL-COA GLOBAL BIOENERGIES (FR) 2022-05-12 US disclosed
US-5338545-A Administering Coenzyme A OCULON CORPORATION (US) 1994-08-16 US disclosed
WO-1993020805-A1 CHEMICAL PREVENTION OR REVERSAL OF CATARACT BY PHASE SEPARATION INHIBITORS OCULON CORPORATION (US) 1993-10-28 WO disclosed
US-4282250-A ESTERS OF ALKANNIN, A PLANT EXTRACT PAPAGEORGIOU VASSILIOS 1981-08-04 US disclosed