SCHEMBL4926352

SCHEMBL4926352

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 6/20 0.49
CA1 P00915 1/20 0.42
FABP3 P05413 7/20 0.42
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
Tributylmethylammonium SCHEMBL4926215 0.92 BBOX1 (0.51) BBOX1CA1FABP3
SCHEMBL4928126 0.90 BBOX1 (0.44) BBOX1CA1FABP3FFAR3HDAC3
Tetrapropylammonium SCHEMBL2347481 0.88 FABP3 (0.47) BBOX1CA1FABP3
SCHEMBL4920268 0.86 BBOX1 (0.56) BBOX1CA1FABP3
SCHEMBL4927998 0.86 BBOX1 (0.46) BBOX1CA1FFAR3HDAC3HDAC1
Tetramethylammonium Ion SCHEMBL2348794 0.86 BBOX1 (0.44) BBOX1CA1FABP3
SCHEMBL4922058 0.85 CA1 (0.46) BBOX1CA1FABP3
SCHEMBL4916788 0.84 BBOX1 (0.48) BBOX1CA1FABP3
Octanoic Acid SCHEMBL5575046 0.84 FABP3 (0.58) BBOX1CA1FABP3
Decanoic Acid SCHEMBL5573588 0.84 FABP3 (0.58) BBOX1CA1FABP3

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