SCHEMBL1537500

SCHEMBL1537500

CCCCCC(CCC)C(=O)[O-].CCCCCC(CCC)C(=O)[O-].CCCCCC(CCC)C(=O)[O-].CCCCCC(CCC)C(=O)[O-].[Sn+4]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.77
NFKB1 P19838 3/20 0.74
CYP3A4 P08684 2/20 0.74
TSHR P16473 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
CA1 P00915 3/20 0.57
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR84 Q9NQS5 4/20 0.44
GRIK1 P39086 2/20 0.44

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
Potassium Ion SCHEMBL29238656 0.96 CA2 (0.77) CA2NFKB1CYP3A4TSHRNPSR1
Silver SCHEMBL28695615 0.96 CA2 (0.77) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL3417043 0.96 CA2 (0.77) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL1046801 0.96 CA2 (0.77) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11809705 0.96 CA2 (0.77) CA2NFKB1CYP3A4TSHRNPSR1
Arundic Acid SCHEMBL30173360 0.94 CA2 (0.81) CA2NFKB1CYP3A4TSHRNPSR1
Arundic Acid SCHEMBL1303733 0.94 CA2 (0.88) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11673146 0.94 CA2 (0.88) CA2NFKB1CYP3A4TSHRNPSR1
Arundic Acid SCHEMBL28654238 0.94 CA2 (0.88) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11672845 0.94 CA2 (0.81) CA2NFKB1CYP3A4TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770001-B1 Use of tin salts of a carboxylic acid in the production of polyurethane systems EVONIK OPERATIONS GMBH (DE) 2021-01-06 EP disclosed
EP-2500369-B2 Use of tin salts of a carboxylic acid in the production of polyurethane systems EVONIK DEGUSSA GMBH (DE) 2018-01-03 EP disclosed
EP-2941317-A1 USE OF TIN SALTS OF NEODECANOIC ACID IN THE PRODUCTION OF POLYURETHANE SYSTEMS Evonik Degussa GmbH (DE) 2015-11-11 EP disclosed
EP-2770001-A1 Use of tin salts of a carboxylic acid in the production of polyurethane systems Evonik Degussa GmbH (DE) 2014-08-27 EP disclosed
EP-2500369-B1 Use of tin salts of a carboxylic acid in the production of polyurethane systems EVONIK DEGUSSA GMBH (DE) 2014-08-06 EP disclosed
WO-2014106642-A1 USE OF TIN SALTS OF NEODECANOIC ACID IN THE PRODUCTION OF POLYURETHANE SYSTEMS EVONIK INDUSTRIES AG (DE) 2014-07-10 WO disclosed
EP-2752243-A1 Use of tin salts of neodecanoic acid in the production of polyurethane systems Evonik Industries AG (DE) 2014-07-09 EP disclosed
EP-2500369-A1 Use of metallic salts of a carboxylic acid in the production of polyurethane systems Evonik Goldschmidt GmbH (DE) 2012-09-19 EP disclosed
EP-2289960-B1 Use of metallic salts of a carboxylic acid in the production of polyurethane systems EVONIK GOLDSCHMIDT GMBH (DE) 2012-08-22 EP disclosed
EP-2289960-A1 Use of metallic salts of a carboxylic acid in the production of polyurethane systems Evonik Goldschmidt GmbH (DE) 2011-03-02 EP disclosed