SCHEMBL4337341

SCHEMBL4337341

O=C(O)C1CC(C(=O)OC(=O)C2CC(C(=O)O)C(C(=O)O)C2C(=O)O)C(C(=O)O)C1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.39
POLB P06746 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GABRR2 P28476 1/20 0.33
LMNA P02545 3/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPP1CC P36873 1/20 0.31
APEX1 P27695 2/20 0.31
PMP22 Q01453 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 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
SCHEMBL11278967 0.91 GABRR1 (0.39) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL20656751 0.88 GABRR1 (0.40) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL168962 0.85 GABRR1 (0.46) GABRR1GABRR2LMNAAPEX1PMP22
SCHEMBL4478750 0.85 GABRR1 (0.46) GABRR1GABRR2LMNAAPEX1PMP22
SCHEMBL5070654 0.85 GABRR1 (0.46) GABRR1GABRR2LMNAAPEX1PMP22
SCHEMBL22039 0.84 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL13084744 0.84 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL8628131 0.84 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL2697233 0.84 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL9782991 0.84 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53022592-A None JP disclosed
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-10669377-B2 Polyimide solution, heat-resistant non-woven fabric, and method for manufacturing same TORAY INDUSTRIES, INC. (JP) 2020-06-02 US 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
US-20170342214-A1 POLYIMIDE SOLUTION, HEAT-RESISTANT NON-WOVEN FABRIC, AND METHOD FOR MANUFACTURING SAME TORAY INDUSTRIES, INC. (JP) 2017-11-30 US disclosed
EP-3216819-A1 POLYIMIDE SOLUTION, HEAT-RESISTANT NON-WOVEN FABRIC, AND METHOD FOR MANUFACTURING SAME Toray Industries, Inc. (JP) 2017-09-13 EP disclosed
US-20090092801-A1 NONAQUEOUS INKJET INK, INK COMPOSITION FOR INKJET RECORDING, AND SUBSTRATE FOR COLOR FILTER TOYO INK MANUFACTURING CO., LTD. (JP) 2009-04-09 US 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-5124825-A Liquid crystal display device KONICA CORPORATION (JP) 1992-06-23 US disclosed
JP-S5322592-A PREPARATION OF AQUEOUS SOLUTION OF HEAT-RESISTANT RESIN COMPOSITION FURUKAWA ELECTRIC CO LTD:THE 1978-03-02 JP disclosed