SCHEMBL4928112

SCHEMBL4928112

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.36
DNM1 Q05193 3/20 0.34
ACHE P22303 2/20 0.33
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
GALR3 O60755 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL4925819 0.88 DNM1 (0.46) BBOX1DNM1ACHEPOLB
SCHEMBL4922165 0.87 BBOX1 (0.36) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetrapropylammonium SCHEMBL2345853 0.84 SLC22A1 (0.46) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4920283 0.84 BBOX1 (0.40) BBOX1ACHEFFAR3HDAC3HDAC1
Tetramethylammonium Ion SCHEMBL2348519 0.84 BBOX1 (0.38) BBOX1FFAR3HDAC3HDAC1HDAC2
Pivalate SCHEMBL4928408 0.82 BBOX1 (0.39) BBOX1DNM1ACHEFFAR3HDAC3
Bicarbonate SCHEMBL1896982 0.81 BBOX1 (0.43) BBOX1DNM1ACHEFFAR3HDAC3
Trifluoroacetic Acid SCHEMBL3681791 0.80 BBOX1 (0.38) BBOX1ACHEFFAR3HDAC3HDAC1
Tributylmethylammonium SCHEMBL4916521 0.79 BBOX1 (0.42) BBOX1DNM1POLB
Bicarbonate SCHEMBL10697126 0.79 BBOX1 (0.42) BBOX1DNM1ACHEFFAR3HDAC3

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