SCHEMBL4776595

SCHEMBL4776595

COC(=O)CC(=O)OC.[KH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.65
GAA P10253 2/20 0.65
SI P14410 2/20 0.65
MGAM2 Q2M2H8 2/20 0.65
TSHR P16473 4/20 0.62
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.43
TET2 Q6N021 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 3/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSP90AB1 P08238 1/20 0.39
POLB P06746 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
SCHEMBL3441102 0.96 MGAM (0.69) MGAMGAASIMGAM2TSHR
SCHEMBL53913 0.96
Bromide SCHEMBL29190335 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
Lithium SCHEMBL11306430 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL29911291 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL11587161 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL708003 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
Hydrochloric Acid SCHEMBL5097295 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL9461843 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL27296203 0.92 MGAM (0.65) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878493-B1 Method of making a polyisocyanurate/polyurethane foam using carbocation compounds as trimerization catalysts AIR PROD & CHEM (US) 2013-08-21 EP claimed
CN-102212032-B 5-hyroxyquinolone derivatives, and preparation method and application thereof UNIV FUDAN 2013-07-31 CN claimed
US-8445555-B2 Stabilized carbanions as trimerization catalysts AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-05-21 US claimed
CN-102212032-A 5-hyroxyquinolone derivatives, and preparation method and application thereof UNIV FUDAN 2011-10-12 CN claimed
US-20080015274-A1 Stabilized carbanions as trimerization catalysts EVONIK OPERATIONS GMBH (DE) 2008-01-17 US claimed
EP-1878493-A1 Stabilized carbanions as trimerization catalysts Air Products and Chemicals, Inc. (US) 2008-01-16 EP claimed
EP-1878493-B1 Method of making a polyisocyanurate/polyurethane foam using carbocation compounds as trimerization catalysts AIR PROD & CHEM (US) 2013-08-21 EP disclosed
CN-103249731-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-08-14 CN disclosed
CN-102212032-B 5-hyroxyquinolone derivatives, and preparation method and application thereof UNIV FUDAN 2013-07-31 CN disclosed
US-8445555-B2 Stabilized carbanions as trimerization catalysts AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-05-21 US disclosed
CN-101104149-B Stabilized carbanions as trimerization catalysts AIR PROD & CHEM 2012-03-28 CN disclosed
CN-102212032-A 5-hyroxyquinolone derivatives, and preparation method and application thereof UNIV FUDAN 2011-10-12 CN disclosed
US-20080015274-A1 Stabilized carbanions as trimerization catalysts EVONIK OPERATIONS GMBH (DE) 2008-01-17 US disclosed
EP-1878493-A1 Stabilized carbanions as trimerization catalysts Air Products and Chemicals, Inc. (US) 2008-01-16 EP disclosed
CN-101104149-A Stabilized carbanions as trimerization catalysts AIR PROD & CHEM (US) 2008-01-16 CN disclosed
CN-1894252-A 6-(2-halophenyl)-triazolopyrimidines, method for their production and their use for combating pathogenic fungi, in addition to agents containing said substances BASF AG (DE) 2007-01-10 CN disclosed
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed