SCHEMBL4057076

SCHEMBL4057076

CCOC(=N)CC(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
Hydrochloric Acid SCHEMBL4057071 0.98 ALDH1A1 (0.46)
SCHEMBL873457 0.85 GAA (0.67)
Hydrochloric Acid SCHEMBL282717 0.83 GAA (0.64)
SCHEMBL8277426 0.83 GAA (0.50)
Hydrochloric Acid SCHEMBL23092197 0.81 GAA (0.61)
SCHEMBL9640608 0.81 MGAM (0.43)
SCHEMBL932146 0.80
Hydrochloric Acid SCHEMBL10722495 0.78 MGAM (0.41)
SCHEMBL9547351 0.78
Hydrochloric Acid SCHEMBL7367447 0.78 GAA (0.44)

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-20230383342-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING ILLUMINA, INC. 2023-11-30 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 US disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20170073360-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20160304464-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-20 US disclosed
US-20150197513-A1 ARYL- AND HETEROARYL-SUBSTITUTED BENZENE DERIVATIVES AS MODULATORS OF PI3-KINASE SIGNALLING PATHWAYS NEUROPORE THERAPIES, INC. 2015-07-16 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20110046376-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS. NOVARTIS AG (CH) 2011-02-24 US disclosed
US-7838527-B2 Methods of treating cancer and related methods NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-23 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
US-7300738-B2 Azolinyl acetic acid derivative and azolinyl acetic acid derivative containing recording material FUJIFILM CORPORATION (JP) 2007-11-27 US disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed