SCHEMBL27743752

SCHEMBL27743752

C=C(CC)C(=O)O.CN=C=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
TET2 Q6N021 4/20 0.34
FFAR3 O14843 1/20 0.33
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL156659 0.83 FFAR3 (0.47) TSHRTET2FFAR3TET3TET1
SCHEMBL17865 0.83
SCHEMBL5959772 0.81 TET2 (0.37) TET2FFAR3TET3TET1GRIK1
Ammonia Solution, Strong SCHEMBL93844 0.80
Methyl Alcohol SCHEMBL8845851 0.80
Oxalic Acid SCHEMBL7521918 0.80 FFAR3 (0.44) TSHRTET2FFAR3TET3TET1
Ethylene SCHEMBL57344 0.80
SCHEMBL18315386 0.80
SCHEMBL5671506 0.80
Methane SCHEMBL3265965 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101451020-A Dye composition for lens PRODISC TECHNOLOGY INC (CN) 2009-06-10 CN claimed
CN-109705305-A Contain how unsaturated group isocyanates biuret and its preparation and application 万华化学集团股份有限公司 2019-05-03 CN disclosed
CN-101451020-A Dye composition for lens PRODISC TECHNOLOGY INC (CN) 2009-06-10 CN disclosed