SCHEMBL861963

SCHEMBL861963

Cc1nc(C(C)(C)C)c(C)c(C)c1C

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
SCHEMBL8923194 0.85
SCHEMBL12364140 0.79
SCHEMBL16621751 0.79
SCHEMBL12364141 0.79
SCHEMBL24872020 0.77 IDO1 (0.32)
SCHEMBL13290983 0.77
SCHEMBL13882103 0.77
SCHEMBL16303103 0.76
SCHEMBL16621750 0.75
SCHEMBL14572129 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20180037571-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-02-08 US disclosed
US-20180010132-A1 INHIBITION OF PRMT5 TO TREAT MTAP-DEFICIENCY-RELATED DISEASES NOVARTIS AG (CH) 2018-01-11 US disclosed
US-9822097-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-11-21 US disclosed
US-20170283807-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF PROSTATE CANCER NOVARTIS AG (CH) 2017-10-05 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
US-9676749-B2 Compositions and methods for cancer detection and treatment OHIO STATE INNOVATION FOUNDATION (US) 2017-06-13 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-8143412-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-03-27 US disclosed
US-8119827-B2 Compounds for treatment of cell proliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-21 US disclosed
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
US-20110021805-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-01-27 US disclosed
US-7745468-B2 tyrphostin-like compounds that display a significant potency as kinase inhibitors, cause the downregulation of c-myc proto-oncogene and inhibit the growth and survival of cancerous cell lines; antiproliferative agents Board of Regents, University of Texas Systems The (US) 2010-06-29 US disclosed
US-20100152143-A1 Methods of Treating Skin Disorders with Caffeic Acid Analogs MOLECULIN, LLC (US) 2010-06-17 US disclosed
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-04 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed