SCHEMBL6903777

SCHEMBL6903777

COOC.O=C(O)OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
FFAR3 O14843 2/20 0.35
TSHR P16473 2/20 0.35
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
HCAR2 Q8TDS4 2/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
Methyl Alcohol SCHEMBL27603251 0.84
SCHEMBL7793 0.83
SCHEMBL31313730 0.83 CA1 (0.40) ALDH1A1FFAR3TSHRLCKFYN
Acetic Acid SCHEMBL4217515 0.80 FFAR3 (0.58) ALDH1A1FFAR3TSHRLCKFYN
SCHEMBL28967242 0.80 FFAR3 (0.38) ALDH1A1FFAR3TSHRLCKFYN
Acetone SCHEMBL11030092 0.80 LMNA (0.50) ALDH1A1FFAR3TSHRLCKFYN
Fluoride SCHEMBL23213374 0.79 CA1 (0.36) ALDH1A1FFAR3TSHRLCKFYN
SCHEMBL3141792 0.79
Ammonia Solution, Strong SCHEMBL3392168 0.79
SCHEMBL20942756 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680394-B1 OXIDATION OF VEGETABLE OILS USING OXYGEN, THEN PRESSURIZATION AND HEATING TO FORM BINDERS, USED AS LINOLEUM CEMENTS DLW AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed