SCHEMBL21035566

SCHEMBL21035566

CC(=O)CC(=O)OCC(C)=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL15745840 0.82 MGAM (0.57) MGAMGAASIMGAM2HTT
SCHEMBL28773802 0.82 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL10001051 0.78 MGAM (0.67) MGAMGAASIMGAM2HTT
SCHEMBL14022135 0.78 MGAM (0.52) MGAMGAASIMGAM2HTT
SCHEMBL27311277 0.77 MGAM (0.46) MGAMGAASIMGAM2
SCHEMBL2184225 0.76 MGAM (0.63) MGAMGAASIMGAM2HTT
SCHEMBL9204032 0.76 MGAM (0.50) MGAMGAASIMGAM2HTT
SCHEMBL27509379 0.76 MGAM (0.50) MGAMGAASIMGAM2HTT
SCHEMBL11505794 0.76 MGAM (0.50) MGAMGAASIMGAM2HTT
SCHEMBL27602762 0.76 GAA (0.50) MGAMGAASIMGAM2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713975-B1 AN ADDITIVE COMPOSITION AND APPLICATION THEREOF BASF SE (DE) 2022-10-12 EP disclosed
CN-111587264-A Additive composition and application thereof 巴斯夫欧洲公司 2020-08-25 CN disclosed
WO-2019101556-A1 AN ADDITIVE COMPOSITION AND APPLICATION THEREOF BASF SE (DE) 2019-05-31 WO disclosed
CN-101400680-B Spiroindolinone derivatives HOFFMANN LA ROCHE 2012-04-25 CN disclosed
CN-101400680-A Spiroindolinone derivatives HOFFMANN LA ROCHE (CH) 2009-04-01 CN disclosed