SCHEMBL6739899

SCHEMBL6739899

O=C(O)C1CCC(C(=O)O)C2C3CCC(C(=O)OC3=O)C12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.37
SLC1A1 P43005 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
GABRR1 P24046 5/20 0.36
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
PPM1B O75688 1/20 0.32
LMNA P02545 1/20 0.32
PPP1CC P36873 1/20 0.32
TFPI2 P48307 1/20 0.32
RAB9A P51151 1/20 0.32
PPP5C P53041 1/20 0.32
PPP1CA P62136 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 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
SCHEMBL3132343 0.83 GABRR1 (0.36) POLBTSHRGABRR1GABRR2FFAR1
SCHEMBL168963 0.82 GABRR1 (0.39) SLC1A2SLC1A1POLBTSHRGABRR1
SCHEMBL24777477 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL3150106 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL3136814 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL24759249 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL3154700 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL3136819 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL169048 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN
SCHEMBL13478457 0.79 AKR1C3 (0.39) POLBTSHRGABRR1KDM4EGMNN

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