SCHEMBL4928209

SCHEMBL4928209

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 12/20 0.44
FFAR3 O14843 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CA1 P00915 1/20 0.39
ACHE P22303 1/20 0.33

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
SCHEMBL4916812 0.89 CA1 (0.45) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4927998 0.89 BBOX1 (0.46) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetrapropylammonium SCHEMBL2349918 0.86 FFAR3 (0.44) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4928126 0.86 BBOX1 (0.44) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4922850 0.86 BBOX1 (0.45) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetramethylammonium Ion SCHEMBL2346843 0.83 BBOX1 (0.43) BBOX1FFAR3HDAC3HDAC1HDAC2
Tributylmethylammonium SCHEMBL4921201 0.81 BBOX1 (0.52) BBOX1FFAR3HDAC3HDAC1HDAC2
Butyric Acid SCHEMBL5574341 0.81 FFAR3 (0.67) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4917985 0.80 BBOX1 (0.53) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetrabuthylammonium SCHEMBL2346227 0.79 CA1 (0.47) BBOX1FFAR3HDAC3HDAC1HDAC2

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