SCHEMBL4884712

SCHEMBL4884712

C=CCOCC=C.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.68
ACLY P53396 1/20 0.68
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17181757 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL27688847 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL17181773 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL721435 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2110910 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL108615 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL6773065 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2111332 0.82 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL23068481 0.80 ACLY (0.95) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL9122117 0.80 ACLY (0.95) CPT2ACLYHSPD1BLMHSPE1

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
CN-101171319-B Method and composition for cleaning a well bore prior to cementing AKZO NOBEL NV 2011-04-13 CN disclosed
CN-101171319-A Method and composition for cleaning a well bore prior to cementing AKZO NOBEL NV (NL) 2008-04-30 CN disclosed
US-7318477-B2 Method and composition for cleaning a well bore prior to cementing AKZO NOBEL N.V. (NL) 2008-01-15 US disclosed
WO-2006120151-A2 METHOD AND COMPOSITION FOR CLEANING A WELL BORE PRIOR TO CEMENTING AKZO NOBEL N.V. (NL) 2006-11-16 WO disclosed
US-20060254770-A1 Method and composition for cleaning a well bore prior to cementing NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2006-11-16 US disclosed