SCHEMBL4922058

SCHEMBL4922058

CC(C)(C)CCCCCC(=O)[O-].CCCC[N+](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
FABP3 P05413 7/20 0.45
BBOX1 O75936 4/20 0.43
DNM1 Q05193 2/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL4928126 0.92 BBOX1 (0.44) CA1FABP3BBOX1
Tributylmethylammonium SCHEMBL4926215 0.90 BBOX1 (0.51) CA1FABP3BBOX1
Tetrabuthylammonium SCHEMBL2349665 0.89 FABP3 (0.50) CA1FABP3
SCHEMBL4916812 0.88 CA1 (0.45) CA1BBOX1DNM1
SCHEMBL4916788 0.86 BBOX1 (0.48) CA1FABP3BBOX1
Octanoic Acid SCHEMBL5573556 0.86 FABP3 (0.58) CA1FABP3DNM1
Decanoic Acid SCHEMBL5570452 0.86 FABP3 (0.58) CA1FABP3DNM1
SCHEMBL4926352 0.85 BBOX1 (0.49) CA1FABP3BBOX1
Stearic Acid SCHEMBL11028278 0.84 FABP3 (0.56) CA1FABP3
Dodecanoate SCHEMBL30209236 0.84 FABP3 (0.56) CA1FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US claimed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP claimed
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US disclosed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP disclosed