SCHEMBL3049291

SCHEMBL3049291

CC1OCC(CO)O1.CC=C(O)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL343862 0.79
SCHEMBL9597426 0.79
SCHEMBL343996 0.79
SCHEMBL343863 0.79
SCHEMBL343861 0.79
SCHEMBL343995 0.79
Isobutane SCHEMBL22426396 0.77 CHRM2 (0.50) CHRM2CHRM5CHRM1TSHRMAPK1
SCHEMBL5162266 0.71
Water SCHEMBL27395841 0.69
SCHEMBL27719368 0.64

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
US-7772420-B2 (Meth)acrylic esters of monoalkoxylated polyols, and production thereof BASF AKTIENGESELLSCHAFT 2010-08-10 US disclosed
US-20060155057-A1 (Meth)acrylic esters of monoalkoxylated polyols, and production thereof BASF AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed