SCHEMBL9971682

SCHEMBL9971682

Cc1[nH]c(C)c2c1OCCO2

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
SCHEMBL9971683 0.88
SCHEMBL19323691 0.76 HTR2A (0.32)
SCHEMBL28228463 0.67 ALOX5 (0.31)
SCHEMBL758143 0.64 ADRA2A (0.36)
SCHEMBL18381009 0.63
SCHEMBL8405560 0.62 ITGB2 (0.36)
SCHEMBL245729 0.60
SCHEMBL7946945 0.60
SCHEMBL15981866 0.57 LMNA (0.33)
SCHEMBL15981883 0.57 LMNA (0.33)

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-20160012976-A1 ORGANIC DYE FOR A DYE SENSITIZED SOLAR CELL ENI S.P.A. (IT) 2016-01-14 US disclosed
US-20150221871-A1 ORGANIC DYE FOR A DYE-SENSITIZED SOLAR CELL ENI S.P.A. (IT) 2015-08-06 US disclosed
US-8863759-B2 Cosmetic article including an electrochromic multilayer structure L'OREAL (FR) 2014-10-21 US disclosed
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 US disclosed
US-20130224170-A1 METHOD OF AMELIORATING OXIDATIVE STRESS AND SUPPLEMENTING THE DIET THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-08-29 US disclosed
US-20130108605-A1 METHOD OF AMELIORATING OXIDATIVE STRESS AND SUPPLEMENTING THE DIET THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-05-02 US disclosed
US-8426368-B2 Method of ameliorating oxidative stress and supplementing the diet THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-04-23 US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20120302720-A1 Novel Polyazomethine SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2012-11-29 US disclosed
US-20120152273-A1 COSMETIC ARTICLE INCLUDING AN ELECTROCHROMIC MULTILAYER STRUCTURE L'OREAL (FR) 2012-06-21 US disclosed
US-20110237525-A1 METHOD OF AMELIORATING OXIDATIVE STRESS AND SUPPLEMENTING THE DIET EMERAMED LIMITED (IE) 2011-09-29 US disclosed
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-09-29 US disclosed
US-20100283040-A1 SELENOPHENES AND SELENOPHENE-BASED POLYMERS, THEIR PREPARATION AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-11-11 US disclosed