SCHEMBL2469233

SCHEMBL2469233

CCC(CC(=O)O)(CC(C)O)OC(CC)(CC(=O)O)CC(C)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL22400739 0.74 CYP2D6 (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL375038 0.70 TSHR (0.36) TSHR
SCHEMBL16230507 0.69 CPT2 (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL1670466 0.69 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL10713504 0.68
SCHEMBL25946674 0.68 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL8009657 0.67 CYP2D6 (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL3499694 0.65 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL18283301 0.65 ALDH1A1 (0.58) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL16415100 0.64 CYP2D6 (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305086-B1 AQUEOUS FOAMABLE CONCENTRATES AND METHODS ANSUL INC (US) 2011-10-05 EP disclosed
WO-2009016538-A2 TRIGGERABLE SELF-GENERATING LIQUID FOAM BARRIER/INTERCEPTOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-02-05 WO disclosed
US-20090036856-A1 TRIGGERABLE SELF-GENERATING LIQUID FOAM BARRIER/INTERCEPTOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-02-05 US disclosed
US-7381696-B2 Aqueous foamable concentrates and methods ANSUL, INCORPORATED (US) 2008-06-03 US disclosed
US-6599872-B1 Aqueous foamable concentrates and methods ANSUL, INCORPORATED 2003-07-29 US disclosed
EP-1305086-A2 AQUEOUS FOAMABLE CONCENTRATES AND METHODS Ansul, Incorporated (US) 2003-05-02 EP disclosed
US-20020072481-A1 Aqueous foamable concentrates and methods ANSUL INCORPORATED 2002-06-13 US disclosed
US-6376566-B1 MARKER CONCENTRATE; MIXTURE OF ANIONIC SURFACTANT, FATTY ALCOHOL, POLYMER STABILIZER AND SOLVENT RHODIA INC. 2002-04-23 US disclosed
US-6369122-B1 Agricultural foam marker compositions and use thereof RHODIA INC. 2002-04-09 US disclosed
WO-2002009819-A2 AQUEOUS FOAMABLE CONCENTRATES AND METHODS ANSUL, INCORPORATED (US) 2002-02-07 WO disclosed
WO-2001095719-A2 AGRICULTURAL FOAM MARKER COMPOSITIONS AND USE THEREOF RHODIA, INC. (US) 2001-12-20 WO disclosed
US-5782580-A TREATMENT OF SOIL CONTAMINATED WITH VOLATILE ORGANIC COMPONENTS BY COVERING WITH VAPOR BARRIER FOAM LAYER, STABILIZING ATLANTIC RICHFIELD COMPANY (US) 1998-07-21 US disclosed
US-5434192-A Nonionic and fluorinated surfactants, solvent, polymer, and water; storage stability ATLANTIC RICHFIELD COMPANY 1995-07-18 US disclosed
WO-1992004942-A1 HIGH-STABILITY FOAMS FOR LONG-TERM SUPPRESSION OF HYDROCARBON VAPORS ATLANTIC RICHFIELD COMPANY (US) 1992-04-02 WO disclosed