Pivalate

Pivalate

SCHEMBL9012070

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 8/20 0.46
SLC22A16 Q86VW1 1/20 0.35
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GRK2 P25098 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.30
DNM1 Q05193 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
Pivalate SCHEMBL2352868 0.82 BBOX1 (0.34) BBOX1SLC22A16
Pivalate SCHEMBL2354478 0.82 SLC22A16 (0.48) BBOX1SLC22A16KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL28021906 0.79 TSHR (0.40) BBOX1KMT2AHTTDNM1
Water SCHEMBL28099726 0.79 TSHR (0.40) BBOX1KMT2AHTTDNM1
Pivalate SCHEMBL4203123 0.74 SLC22A1 (0.38) BBOX1KMT2AMEN1LMNAPOLB
Pivalate SCHEMBL4918272 0.74 BBOX1 (0.43) BBOX1SLC22A16KMT2AMEN1LMNA
Pivalate SCHEMBL4916733 0.72 BBOX1 (0.46) BBOX1SLC22A16
Pivalate SCHEMBL17025968 0.72 SLC22A16 (0.39) BBOX1SLC22A16KMT2AMEN1LMNA
Pivalate SCHEMBL6073030 0.72 SLC22A1 (0.43) DNM1
SCHEMBL15817368 0.71 SLC22A16 (0.45) BBOX1SLC22A16KMT2AMEN1

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-5561171-A USING A HYDROXYALKYLAMMONIUM CARBOXYLATE ALLIEDSIGNAL, INC. (US) 1996-10-01 US disclosed
US-5395859-A Metal chloroalkanoate or metal haloalkoxyacylcarboxylate trimerization catalyst ALLIEDSIGNAL INC. (US) 1995-03-07 US disclosed
EP-0590079-A1 CATALYSTS WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYISOCYANURATE FOAM FORMULATIONS DURING POLYMERIZATION AlliedSignal Inc. (US) 1994-04-06 EP disclosed
WO-1993000379-A1 CATALYSTS WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYISOCYANURATE FOAM FORMULATIONS DURING POLYMERIZATION ALLIED-SIGNAL INC. (US) 1993-01-07 WO disclosed