SCHEMBL4922165

SCHEMBL4922165

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.36
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 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
Tributylmethylammonium SCHEMBL4916521 0.88 BBOX1 (0.42) BBOX1
SCHEMBL4928112 0.87 BBOX1 (0.36) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetrapropylammonium SCHEMBL2345853 0.84 SLC22A1 (0.46) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetramethylammonium Ion SCHEMBL2348519 0.84 BBOX1 (0.38) BBOX1FFAR3HDAC3HDAC1HDAC2
Pivalate SCHEMBL4928472 0.82 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4924122 0.82 BBOX1 (0.43) BBOX1
SCHEMBL4920283 0.79 BBOX1 (0.40) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4925819 0.79 DNM1 (0.46) BBOX1
Acetic Acid SCHEMBL557807 0.79 CA1 (0.44) BBOX1FFAR3HDAC3HDAC1HDAC2
Oxalic Acid SCHEMBL1050654 0.79 BBOX1 (0.43) 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