SCHEMBL6554180

SCHEMBL6554180

O=C(O)Oc1cc2cc3c(cc2cc1OC(=O)O)OC(=O)OC(=O)O3

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 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
SCHEMBL2467663 0.90
SCHEMBL4872430 0.79 KDM4E (0.35) CA12CA9
SCHEMBL8897384 0.77 GAPDH (0.39)
SCHEMBL8596874 0.75 CFD (0.38)
SCHEMBL8397431 0.74
SCHEMBL2468681 0.73 CA12 (0.41) CA12CA9
SCHEMBL6555259 0.70 ALDH1A1 (0.36) CA12CA9
SCHEMBL323191 0.70 TNFSF11 (0.39) CA12CA9
SCHEMBL6554200 0.69
SCHEMBL11127773 0.69 ADORA3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124893-B1 POLYISOCYANATE POLYADDITION PRODUCTS BASF AG (DE) 2004-12-22 EP disclosed
EP-1117718-B1 PROCESS FOR THE PREPARATION OF FOAMED POLYISOCYANATE-POLYADDITION PRODUCTS OR POLYURETHANE ELASTOMERS USING MIXTURES CONTAINING ISOCYANATES AS WELL AS ORGANIC AND/OR INORGANIC ACID ANHYDRIDES BASF AG (DE) 2003-10-01 EP disclosed