SCHEMBL4920283

SCHEMBL4920283

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.40
SLC22A16 Q86VW1 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
Tetramethylammonium Ion SCHEMBL2348519 0.90 BBOX1 (0.38) BBOX1SLC22A16FFAR3HDAC3HDAC1
SCHEMBL4924122 0.88 BBOX1 (0.43) BBOX1
Tetrylammonium SCHEMBL2351305 0.85 TSHR (0.40) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4928112 0.84 BBOX1 (0.36) BBOX1ACHEFFAR3HDAC3HDAC1
SCHEMBL4777919 0.84 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
Silver SCHEMBL17797184 0.84 FFAR3 (0.36) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL6818429 0.84 FFAR3 (0.36) BBOX1FFAR3HDAC3HDAC1HDAC2
Lithium Ion SCHEMBL18321792 0.84 FFAR3 (0.36) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4957927 0.84 FFAR3 (0.36) BBOX1FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL2349658 0.84 CA4 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8

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