SCHEMBL4535807

SCHEMBL4535807

CNC(C)(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
SCHEMBL7455979 0.69
SCHEMBL8842664 0.69
SCHEMBL12648253 0.69 PKM (0.30)
SCHEMBL5786211 0.67
SCHEMBL22388265 0.66
SCHEMBL26245172 0.65
SCHEMBL8842660 0.65
SCHEMBL27553452 0.65
SCHEMBL15798538 0.64
SCHEMBL1498433 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101555264-B Derivative of highly active tetra cyclic anthroquinones antibiotics and preparation and application thereof TIANJIN HEMAY BIO TECH CO LTD 2014-09-03 CN claimed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP claimed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US claimed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP claimed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US claimed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO claimed
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
US-20230293638-A1 METHOD OF USING A GIP/GLP1 CO-AGONIST FOR DIABETES ELI LILLY AND COMPANY 2023-09-21 US disclosed
WO-2017004548-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-01-05 WO disclosed
WO-2016154058-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2016-09-29 WO disclosed
WO-2016049359-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2016-03-31 WO disclosed
WO-2016049355-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. (US) 2016-03-31 WO disclosed
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US disclosed
US-7161031-B2 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-09 US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 CN disclosed
CN-1185148-A Azolyl oxybenzyl alkoxyacrylic acdid esters, prepn. method and use thereof BASF AG (DE) 1998-06-17 CN disclosed