SCHEMBL4925819

SCHEMBL4925819

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.46
APAF1 O14727 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
ACHE P22303 1/20 0.39
BBOX1 O75936 2/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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) DNM1BBOX1MEN1LMNAPOLB
SCHEMBL4928112 0.88 BBOX1 (0.36) DNM1ACHEBBOX1POLB
Tetrabuthylammonium SCHEMBL2350241 0.86 SLC22A1 (0.50) DNM1CES2CES1
Pivalate SCHEMBL4922252 0.83 DNM1 (0.46) DNM1APAF1HSP90AA1RAD52ACHE
Bicarbonate SCHEMBL2279601 0.83 DNM1 (0.55) DNM1APAF1HSP90AA1RAD52ACHE
Trifluoroacetic Acid SCHEMBL1981477 0.82 DNM1 (0.44) DNM1APAF1HSP90AA1RAD52ACHE
SCHEMBL4920283 0.81 BBOX1 (0.40) ACHEBBOX1MEN1KMT2A
Bicarbonate SCHEMBL9503305 0.81 DNM1 (0.52) DNM1APAF1HSP90AA1RAD52ACHE
Acetic Acid SCHEMBL5574141 0.81 DNM1 (0.52) DNM1APAF1HSP90AA1RAD52ACHE
Tetramethylammonium Ion SCHEMBL2348519 0.80 BBOX1 (0.38) BBOX1CA1CES2CES1

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