SCHEMBL6739897

SCHEMBL6739897

O=C(O)C1CCC(C(=O)O)C2C(C(=O)OC(=O)C3CCC(C(=O)O)C4C(C(=O)O)CCC(C(=O)O)C34)CCC(C(=O)O)C12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 5/20 0.41
SLC1A1 P43005 3/20 0.41
GABRR1 P24046 5/20 0.40
GABRR2 P28476 1/20 0.34
ACE P12821 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
GRM5 P41594 1/20 0.32
PMP22 Q01453 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7856444 0.84 GABRR1 (0.43) SLC1A2SLC1A1GABRR1GABRR2ACE
SCHEMBL4469497 0.84 GABRR1 (0.43) SLC1A2SLC1A1GABRR1GABRR2ACE
SCHEMBL21708 0.84 GABRR1 (0.53) SLC1A2SLC1A1GABRR1GABRR2CYP2C9
SCHEMBL5070654 0.81 GABRR1 (0.46) SLC1A2SLC1A1GABRR1GABRR2CYP2C9
SCHEMBL168962 0.81 GABRR1 (0.46) SLC1A2SLC1A1GABRR1GABRR2CYP2C9
SCHEMBL4478750 0.81 GABRR1 (0.46) SLC1A2SLC1A1GABRR1GABRR2CYP2C9
SCHEMBL20656751 0.80 GABRR1 (0.40) SLC1A2SLC1A1GABRR1GABRR2LMNA
SCHEMBL169047 0.78 GABRR1 (0.44) SLC1A2SLC1A1GABRR1GABRR2ACE
SCHEMBL21641650 0.78 GABRR1 (0.44) SLC1A2SLC1A1GABRR1GABRR2ACE
SCHEMBL5525138 0.75 PEPD (0.48) ACELMNAMEN1KMT2A

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 8 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