SCHEMBL6554207

SCHEMBL6554207

O=C(O)Oc1c(Cl)c(Cl)c(OC(=O)O)c2c3oc(=O)oc(=O)oc(c(Cl)c3Cl)c12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 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
SCHEMBL14778702 0.76
SCHEMBL725803 0.73 AHR (0.32)
SCHEMBL5070407 0.69 CA1 (0.35)
Hydrochloric Acid SCHEMBL11843960 0.67 CA1 (0.33)
SCHEMBL6555952 0.67 ADORA3 (0.31)
SCHEMBL9858230 0.65 AHR (0.41)
SCHEMBL3651690 0.64
SCHEMBL5586838 0.62 MEN1 (0.41)
SCHEMBL5697079 0.60 CA1 (0.31)
SCHEMBL8597700 0.60 ADORA3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548534-B1 METHOD FOR THE PREPARATION OF TDI-BASED POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2020-12-02 EP disclosed
EP-3548534-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES Covestro Deutschland AG (DE) 2019-10-09 EP disclosed
WO-2018104221-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES COVESTRO DEUTSCHLAND AG (DE) 2018-06-14 WO disclosed
EP-3330308-A1 METHOD FOR THE PREPARATION OF TDI-BASED POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES Covestro Deutschland AG (DE) 2018-06-06 EP disclosed
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