SCHEMBL319892

SCHEMBL319892

CC(=O)C=CC(C)(C)C

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
SCHEMBL319891 1.00
SCHEMBL12898220 1.00
SCHEMBL1783329 0.79
SCHEMBL1783330 0.79
SCHEMBL6446752 0.78 CYP1A2 (0.34)
SCHEMBL11999764 0.78 CYP1A2 (0.34)
SCHEMBL12922698 0.78 CYP1A2 (0.34)
SCHEMBL22880787 0.77
SCHEMBL6725107 0.75
SCHEMBL319288 0.75

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175868-A1 INHIBITION OF SARS-CoV-2 VIRUS BY ARUM PALAESTINUM ANKH LIFE SCIENCES LIMITED (IE) 2022-06-09 US disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 US disclosed
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
US-8039025-B1 Methods and dosage forms for the treatment of human cancers Life Plus, LLC (US) 2011-10-18 US disclosed
US-4315032-A ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS TEITIN LIMITED (JP) 1982-02-09 US disclosed
EP-0010287-B1 GAMMA-AZOLYL COMPOUNDS, GROWTH REGULATING COMPOSITIONS, PROCESS FOR PRODUCING THEM AND PROCESS FOR REGULATING THE GROWTH OF PLANTS BASF Aktiengesellschaft (DE) 1981-08-05 EP disclosed
US-4278800-A γ-Azolyl compounds, agents containing them for regulating plant growth, and the manufacture thereof BASF AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0019475-A2 Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them TEIJIN LIMITED (JP) 1980-11-26 EP disclosed
EP-0010287-A1 Gamma-azolyl compounds, growth regulating compositions, process for producing them and process for regulating the growth of plants BASF Aktiengesellschaft (DE) 1980-04-30 EP disclosed
US-4139717-A 1,3-Dicarbonyl compounds TEIJIN LIMITED (JP) 1979-02-13 US disclosed
US-4009196-A HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS TEIJIN LIMITED (JA) 1977-02-22 US disclosed