SCHEMBL6740928

SCHEMBL6740928

O=C(O)c1c(Cl)c(Cl)c(C(=O)O)c2c(C(=O)OC(=O)c3c(Cl)c(Cl)c(C(=O)O)c4c(C(=O)O)c(Cl)c(Cl)c(C(=O)O)c34)c(Cl)c(Cl)c(C(=O)O)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL4364573 0.85 DPP4 (0.34) HTTKDM4EALDH1A1HSD17B10DPP4
SCHEMBL22133 0.84 DPP4 (0.40) HTTKDM4EALDH1A1HSD17B10DPP4
SCHEMBL29764029 0.84 DPP4 (0.40) HTTKDM4EALDH1A1HSD17B10DPP4
SCHEMBL21433600 0.84 CYP1A2 (0.46) KDM4EALDH1A1HSD17B10DPP4
SCHEMBL7882999 0.81 HTT (0.32) HTTKDM4EALDH1A1HSD17B10DPP4
SCHEMBL3090897 0.78 CYP1A2 (0.40) ALDH1A1
SCHEMBL9815889 0.76 CES2 (0.40) ALDH1A1HSD17B10
SCHEMBL27954229 0.74 HTT (0.41) HTTKDM4EALDH1A1HSD17B10DPP4
SCHEMBL28049565 0.73 CYP1A2 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL2762802 0.73 CYP1A2 (0.36) KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023369-B Process for preparing TDI based polyurethane flexible foams containing organic acid anhydrides and/or organic acid chlorides 科思创德国股份有限公司 2022-03-18 CN disclosed
US-20200079895-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES COVESTRO DEUTSCHLAND AG (DE) 2020-03-12 US 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
US-20040209969-A1 Polyisocyanate polyaddition products ARLT ANDREAS 2004-10-21 US disclosed
US-6800667-B1 CATALYTIC CONDENSATION POLYMERIZATION OF POLYURETHANE FOAM USING ORGANIC AMINE OR METAL COMPOUND IN PRESENCE OF UNREACTED ACID ANHYDRIDE; MATTRESSES, UPHOLSTERY, OR CARPETS BASF CORPORATION 2004-10-05 US disclosed
US-6794421-B2 comprising hydrophobic compounds plus at least one further compound and/or derivative thereof reactive toward primary amines, compound being selected from cyclic sulfonic esters and sulfones and mixtures thereof BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030130366-A1 Polyisocyanate polyaddition products ARLT ANDREAS (DE) 2003-07-10 US disclosed
US-6495611-B1 MATTRESS OR FURNITURE UPHOLSTERY OR CARPET BACKING COMPRISING A FLEXIBLE POLYURETHANE FOAM COMPRISING HYDROPHOBIC COMPOUNDS PLUS AT LEAST ONE CYCLODEXTRIN, RESORCINARENE, CYCLOPHANE AND/OR CYCLOCALIXARENE BASF AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6183869-B1 HEAT RESISTANT RESIN, FLUORORESIN AND COUPLER WITH PRIMER FOR MULTILAYER ELEMENT FUJI XEROX CO., LTD. (JP) 2001-02-06 US disclosed