SCHEMBL2694720

SCHEMBL2694720

CN1C(CNC2=CCC([C]=O)CC2)=CNc2nc(N)[nH]c(=O)c21

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
SCHEMBL7757766 0.87 DHFR (0.31) —
SCHEMBL17560322 0.85 NOS1 (0.32) —
SCHEMBL4616964 0.67 MTHFD1 (0.47) —
SCHEMBL31315883 0.59 NOS1 (0.43) —
SCHEMBL12958941 0.55 NOS1 (0.37) —
SCHEMBL19206626 0.54 NOS1 (0.34) —
SCHEMBL19204413 0.53 NOS1 (0.47) —
SCHEMBL27409359 0.51 TYMS (0.39) —
SCHEMBL29754917 0.51 NOS1 (0.54) —
SCHEMBL20374994 0.49 NOS1 (0.45) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029870-A Microorganisms for enhanced amino acid production and related methods 凯利斯塔公司 2016-10-12 — — CN claimed
CN-102998456-A Methods for obtaining high-yielding oil palm plants SIME DARBY MALAYSIA BERHAD 2013-03-27 — — CN claimed
CN-101089598-A Homotype semicystinol diagnostic kit and homotype senicystinol concentration investigating method AIJIE BIOLOG SCIENCE & TECHNOL (CN) 2007-12-19 — — CN claimed
US-20210353598-A1 ANTIGEN-DRIVEN DETECTION AND TREATMENT OF COCCIDIOIDOMYCOSIS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2021-11-18 — — US disclosed
US-11045451-B2 Antigen-driven detection and treatment of coccidioidomycosis MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-06-29 — — US disclosed
EP-3789043-A1 EXTRACTION OF PLANT SOURCE \"MEDICINAL SOUP\" AND MANUAL PREPARATION OF \"HERBAL MEDICINE\" AND RELATED PRODUCTS Institute of Basic Medical Sciences, Chinese Academi of Medical Sciences (CN) 2021-03-10 — — EP disclosed
EP-2463654-B1 Compositions and methods for modeling saccharomyces cerevisiae metabolism UNIV CALIFORNIA (US) 2020-06-03 — — EP disclosed
US-20200115705-A1 A HIGH-THROUGHPUT (HTP) GENOMIC ENGINEERING PLATFORM FOR IMPROVING SACCHAROPOLYSPORA SPINOSA ZYMERGEN INC. (US) 2020-04-16 — — US disclosed
US-20200095593-A1 PLANT REGULATORY ELEMENTS DERIVED FROM MEDICAGO TRUNCATULA 3'UTR SEQUENCES, AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2020-03-26 — — US disclosed
US-20190328715-A1 ANTIGEN-DRIVEN DETECTION AND TREATMENT OF COCCIDIOIDOMYCOSIS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2019-10-31 — — US disclosed
CN-102998456-A Methods for obtaining high-yielding oil palm plants SIME DARBY MALAYSIA BERHAD 2013-03-27 — — CN disclosed
CN-101203529-A Proteins and nucleic acids from meningitis/sepsis-associated escherichia coli NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-06-18 — — CN disclosed
EP-1438580-A4 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM UNIV CALIFORNIA (US) 2007-11-14 — — EP disclosed
EP-1763581-A2 BIOLOGICALLY SAFE TRANSIENT PROTEIN EXPRESSION IN PLANTS Icon Genetics AG (DE) 2007-03-21 — — EP disclosed
WO-2006003018-A2 BIOLOGICALLY SAFE TRANSIENT PROTEIN EXPRESSION IN PLANTS ICON GENETICS AG (DE) 2006-01-12 — — WO disclosed
EP-1438580-A1 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-07-21 — — EP disclosed
WO-2003036296-A9 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM UNIV CALIFORNIA (US) 2004-05-13 — — WO disclosed
WO-2003036296-A1 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-01 — — WO disclosed
WO-2003025213-A2 YEAST PROTEOME ANALYSIS MDS PROTEOMICS INC. (CA) 2003-03-27 — — WO disclosed
US-6239264-B1 NUCLEOTIDE SEQUENCES; CLONING VECTORS; TRANSFORMED HOST CELLS; PRIMERS FOR DETECTION SYNGENTA PARTICIPATIONS AG (CH) 2001-05-29 — — US disclosed
Send feedback