SCHEMBL6811331

SCHEMBL6811331

CC(S)C(=O)O.CCCCCCCCCCCCS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
GPR84 Q9NQS5 10/20 0.47
FFAR1 O14842 2/20 0.47
PPARD Q03181 7/20 0.45
MAPT P10636 2/20 0.45
LCK P06239 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
KMT2A Q03164 2/20 0.43
PPARG P37231 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43

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
Octane SCHEMBL28026114 0.91 GPR84 (0.54) ACE2GPR84FFAR1PPARDMAPT
Dodecane SCHEMBL6460928 0.91 GPR84 (0.54) ACE2GPR84FFAR1PPARDMAPT
Bicarbonate SCHEMBL7761902 0.84 GPR84 (0.52) GPR84FFAR1PPARDMAPTKMT2A
SCHEMBL28451853 0.83 GPR84 (0.44) ACE2GPR84FFAR1PPARDMAPT
Propionic Acid SCHEMBL11239687 0.83 KMT2A (0.48) GPR84FFAR1PPARDMAPTKMT2A
SCHEMBL9177724 0.82 ACE2 (0.52) ACE2GPR84FFAR1PPARDMAPT
Acetic Acid SCHEMBL4440183 0.81 GPR84 (0.50) GPR84FFAR1PPARDMAPTKMT2A
Hexanethiol SCHEMBL11706887 0.81 SPHK1 (0.43) GPR84FFAR1KMT2ATSHRALDH1A1
Acetic Acid SCHEMBL9682702 0.81 GPR84 (0.50) GPR84FFAR1PPARDMAPTKMT2A
Bicarbonate SCHEMBL11138068 0.81 GPR84 (0.50) GPR84FFAR1PPARDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1290101-B1 ADHESIVE COMPOSITIONS CONTAINING STABLE AMINO-CONTAINING POLYMER LATEX BLENDS EASTMAN CHEM CO (US) 2004-10-20 EP disclosed
EP-0902813-B1 STABLE AMINO-CONTAINING POLYMER BLENDS EASTMAN CHEM CO (US) 2004-03-31 EP disclosed
EP-1290101-A2 ADHESIVE COMPOSITIONS CONTAINING STABLE AMINO-CONTAINING POLYMER LATEX BLENDS EASTMAN CHEMICAL COMPANY (US) 2003-03-12 EP disclosed
EP-0902800-B1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEM CO (US) 2002-09-11 EP disclosed
US-6417267-B1 ADHESIVE MIXTURE WITH WATER LATEX EASTMAN CHEMICAL COMPANY 2002-07-09 US disclosed
WO-2001090272-A2 ADHESIVE COMPOSITIONS CONTAINING STABLE AMINO-CONTAINING POLYMER LATEX BLENDS EASTMAN CHEMICAL COMPANY (US) 2001-11-29 WO disclosed
US-6297328-B1 COATING FORMULATIONS. EASTMAN CHEMICAL COMPANY 2001-10-02 US disclosed
US-6028155-A Surfactant-containing acetoacetoxy-functional and enamine-functional polymers EASTMAN CHEMICAL COMPANY (US) 2000-02-22 US disclosed
US-5998543-A BLEND OF A ACETOACETOXY POLYMER AND POLYALKYLENIMINE EASTMAN CHEMICAL COMPANY (US) 1999-12-07 US disclosed
EP-0902814-B1 USE OF STABLE AMINO-FUNCTIONAL LATEXES IN WATER-BASED INKS EASTMAN CHEM CO (US) 1999-11-17 EP disclosed
US-5891950-A PIGMENT AND POLYMER LATEX WITH POLYAMINOENAMINES AND ACETOACETOXY FUNCTIONAL POLYMER LATEX INKS AND LAMINATION EASTMAN CHEMICAL COMPANY (US) 1999-04-06 US disclosed
EP-0902813-A1 STABLE AMINO-CONTAINING POLYMER BLENDS EASTMAN CHEMICAL COMPANY (US) 1999-03-24 EP disclosed
EP-0902800-A1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 1999-03-24 EP disclosed
EP-0902814-A1 USE OF STABLE AMINO-FUNCTIONAL LATEXES IN WATER-BASED INKS EASTMAN CHEMICAL COMPANY (US) 1999-03-24 EP disclosed
WO-1997045468-A1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 1997-12-04 WO disclosed
WO-1997045495-A1 USE OF STABLE AMINO-FUNCTIONAL LATEXES IN WATER-BASED INKS EASTMAN CHEMICAL COMPANY (US) 1997-12-04 WO disclosed
WO-1997045490-A1 STABLE AMINO-CONTAINING POLYMER BLENDS EASTMAN CHEMICAL COMPANY (US) 1997-12-04 WO disclosed