SCHEMBL9971683

SCHEMBL9971683

Cc1[nH]c(C)c2c1OCCCO2

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
SCHEMBL19323691 0.72 HTR2A (0.32)
SCHEMBL10025599 0.67
SCHEMBL1786152 0.65
SCHEMBL9912000 0.65
SCHEMBL22728308 0.62
SCHEMBL17211752 0.60 SMN1; SMN2 (0.36)
SCHEMBL28228463 0.57 ALOX5 (0.31)
SCHEMBL14748897 0.56
SCHEMBL19121395 0.56 FFAR4 (0.42)
SCHEMBL12690044 0.56

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-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-8284473-B2 Dual active film electrochromic display device UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-10-09 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-20100265562-A1 DUAL ACTIVE FILM ELECTROCHROMIC DISPLAY DEVICE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2010-10-21 US disclosed