SCHEMBL6735183

SCHEMBL6735183

CC1=C2C(=C(C)CC(C(=O)O)C2C(=O)O)C2C(=O)OC(=O)C2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
TSHR P16473 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
SCHEMBL6714760 0.81 FNTA (0.33)
SCHEMBL126022 0.79 ALDH1A1 (0.38) POLBTSHR
SCHEMBL11263456 0.75 ALDH1A1 (0.33) POLBTSHR
SCHEMBL7893065 0.74 POLB (0.31) POLBTSHR
SCHEMBL6735181 0.70 POLB (0.33) POLBTSHR
SCHEMBL11263463 0.67
SCHEMBL27709934 0.65 ALDH1A1 (0.38) POLBTSHR
SCHEMBL4352173 0.64 FNTA (0.37) TSHR
SCHEMBL3315680 0.64 FNTA (0.37) TSHR
SCHEMBL168963 0.63 GABRR1 (0.39) POLBTSHR

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