SCHEMBL28564448

SCHEMBL28564448

COC(C)OC(C)OC(C)OC(=O)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28556735 0.98 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL644901 0.90 MGAM (0.54) MGAMGAASIMGAM2TSHR
SCHEMBL11276451 0.83 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL6837511 0.83 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL4622681 0.82 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL2302046 0.79 TSHR (0.42) TSHRALDH1A1
SCHEMBL11621178 0.78 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL29142606 0.77 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL11614888 0.77 MEN1 (0.35) ALDH1A1
SCHEMBL14365840 0.76 TSHR (0.48) TSHRALDH1A1TDP1

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
CN-112552483-A Self-induced photoepoxy methacrylate resin and synthetic method thereof 新丰见微化工实业有限公司 2021-03-26 CN claimed