Pivalate

Pivalate

SCHEMBL4928472

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

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.39
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DNM1 Q05193 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CA1 P00915 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
Tributylmethylammonium SCHEMBL4924819 0.86 BBOX1 (0.45) BBOX1MEN1LMNAPOLBGRK2
Pivalate SCHEMBL4928408 0.86 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
Pivalate SCHEMBL5575010 0.85 HTT (0.44) BBOX1KMT2ACES2CES1DNM1
Pivalate SCHEMBL4928477 0.83 TSHR (0.35) BBOX1FFAR3HDAC3HDAC1HDAC2
Tetrapropylammonium SCHEMBL2353669 0.83 SLC22A1 (0.50) BBOX1FFAR3HDAC3HDAC1HDAC2
Pivalate SCHEMBL5571701 0.83 HTT (0.48) BBOX1KMT2ADNM1
Pivalate SCHEMBL5571679 0.83 HTT (0.48) BBOX1KMT2ADNM1
Pivalate SCHEMBL5570486 0.83 HTT (0.48) BBOX1KMT2ADNM1
Pivalate SCHEMBL5574158 0.83 HTT (0.48) BBOX1KMT2ADNM1
Oxalic Acid SCHEMBL1050654 0.82 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