SCHEMBL2114500

SCHEMBL2114500

CC(C)(C)C1(C)CO1

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
SCHEMBL8988246 0.73
SCHEMBL13875825 0.73
SCHEMBL10960949 0.73
Hydrochloric Acid SCHEMBL10420594 0.71
Bromide SCHEMBL6578177 0.71
Water SCHEMBL2452742 0.71
Ammonia Solution, Strong SCHEMBL10420593 0.71
SCHEMBL11794601 0.70 EPHX1 (0.32)
SCHEMBL14414564 0.69
SCHEMBL3973408 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20160333135-A1 CURABLE COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 2016-11-17 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20160009946-A1 UNDER LAYER FILM-FORMING COMPOSITION FOR IMPRINTS AND METHOD FOR FORMING PATTERN FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-8865930-B2 Method for making terpene derivatives SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-10-21 US disclosed
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 US disclosed
US-8158663-B2 N-[2-thiazolylidene- or 2-oxazolylidene]carbo- or heterocyclecarboxyamides, e.g., 5-chloro-2-methoxy-N-[(2Z)-3-(2-methoxyethyl)-5,5-dimethyl-1,3-thiazolidin-2-ylidene]benzamide; treating neuropathic, nociceptive, and inflammatory pain and immune, respiratory, and cardiovascular disorders ABBOTT LABORATORIES (US) 2012-04-17 US disclosed
US-20110152563-A1 METHOD FOR MAKING TERPENE DERIVATIVES SALK INSTITUTE FOR BIOLOGICAL STUDIES 2011-06-23 US disclosed
US-20110152563-A1 METHOD FOR MAKING TERPENE DERIVATIVES SALK INSTITUTE FOR BIOLOGICAL STUDIES 2011-06-23 US disclosed
WO-2008079687-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed