SCHEMBL8773346

SCHEMBL8773346

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.32
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 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
SCHEMBL10747803 0.79 SMN1; SMN2 (0.43) SMN1; SMN2SLC22A6
SCHEMBL5132469 0.77 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL11130915 0.76 TSHR (0.37) GRIK1GRIK2
Bicarbonate SCHEMBL29287652 0.75 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL27726493 0.74 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL5040922 0.74 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL367991 0.73 SMN1; SMN2 (0.44) SMN1; SMN2SLC22A6
SCHEMBL7489183 0.73 SMN1; SMN2 (0.44) SMN1; SMN2SLC22A6
SCHEMBL9679700 0.73 ABCC4 (0.38) GRIK1GRIK2
Allyl Alcohol SCHEMBL9630023 0.72 SMN1; SMN2 (0.43) SMN1; SMN2SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679663-B1 Process for the manufacture of water-dilutable binders and use thereof BAYER AG (DE) 1997-10-29 EP claimed
US-5516853-A ADDITION COPOLYMERIZING ANHYDRIDE AND OTHER MONOMERS; RING-OPENING ESTERIFICATIN WITH ALIPHATIC ALCOHOL; REACTING WITH ORGANIC EPOXIDE; NEUTRALIZATION BAYER AKTIENGESELLSCHAFT (DE) 1996-05-14 US claimed