SCHEMBL5280606

SCHEMBL5280606

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
TRPA1 O75762 1/20 0.33

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
SCHEMBL5280600 0.94 MGAM (0.39) MGAMGAASIMGAM2HTT
SCHEMBL517135 0.90 ALDH1A1 (0.41) MGAMGAASIMGAM2HTT
SCHEMBL28990194 0.80 KDM4E (0.39) MGAMGAASIMGAM2HTT
SCHEMBL31201800 0.76 MGAM (0.46) MGAMGAASIMGAM2HTT
SCHEMBL29257746 0.74 LDHA (0.42) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL7002035 0.73
SCHEMBL182005 0.73
SCHEMBL1802349 0.73 ALDH1A1 (0.44) ALDH1A1TDP1
SCHEMBL2445390 0.72 MGAM (0.36) MGAMGAASIMGAM2HTT
SCHEMBL8591600 0.71 MGAM (0.39) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960894-B1 Group IVB metal blowing catalyst compositions for the production of polyurethane foams AIR PROD & CHEM (US) 2005-08-03 EP claimed
EP-0960894-A1 Group IVB metal blowing catalyst compositions for the production of polyurethane foams AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-12-01 EP claimed
US-5902835-A REACTING ORGANIC POLYISOCYANATE AND POLYOL IN PRESENCE OF WATER AS BLOWING AGENT AND COMBINATION OF GELLING CATALYST AND BLOWING CATALYST COMPRISING SPECIFIED TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUND AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-05-11 US claimed
EP-1432749-B1 METHOD FOR THE PRODUCTION OF POLYURETHANE ELASTOMERS AND USE BAYER MATERIALSCIENCE AG (DE) 2007-12-05 EP disclosed
US-20060293486-A1 Polyurethane elastomers, a process for the preparation thereof and the use thereof BAYER MATERIALSCIENCE AG (DE) 2006-12-28 US disclosed
EP-1736489-A2 Polyurethane elastomers, process of their preparation and their use Bayer MaterialScience AG (DE) 2006-12-27 EP disclosed
EP-0960894-B1 Group IVB metal blowing catalyst compositions for the production of polyurethane foams AIR PROD & CHEM (US) 2005-08-03 EP disclosed
EP-1432749-A1 POLYURETHANE ELASTOMERS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Bayer MaterialScience AG (DE) 2004-06-30 EP disclosed
WO-2003020783-A1 POLYURETHANE ELASTOMERS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE BAYER MATERIALSCIENCE AG (DE) 2003-03-13 WO disclosed
EP-0960894-A1 Group IVB metal blowing catalyst compositions for the production of polyurethane foams AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-12-01 EP disclosed
US-5902835-A REACTING ORGANIC POLYISOCYANATE AND POLYOL IN PRESENCE OF WATER AS BLOWING AGENT AND COMBINATION OF GELLING CATALYST AND BLOWING CATALYST COMPRISING SPECIFIED TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUND AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-05-11 US disclosed