Pivalate

Pivalate

SCHEMBL3414635

CC(C)(C)C(=O)O.CCCCCCCCCC(C)(C)N

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.47
FDPS P14324 2/20 0.47
CES2 O00748 1/20 0.42
PPARG P37231 5/20 0.41
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
HDAC11 Q96DB2 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41

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
Bicarbonate SCHEMBL27083092 0.91 SMPD1 (0.50) SMPD1FDPSCES2PPARGPPARD
Acetic Acid SCHEMBL4367052 0.89 SMPD1 (0.48) SMPD1FDPSCES2PPARGPPARD
Acetic Acid SCHEMBL9224621 0.89 SMPD1 (0.48) SMPD1FDPSCES2PPARGPPARD
Acetic Acid SCHEMBL11691620 0.89 SMPD1 (0.48) SMPD1FDPSCES2PPARGPPARD
Acetic Acid SCHEMBL3139399 0.89 SMPD1 (0.48) SMPD1FDPSCES2PPARGPPARD
Bicarbonate SCHEMBL1689393 0.89 FDPS (0.48) SMPD1FDPSCES2PPARGPPARD
Trifluoroacetic Acid SCHEMBL3145797 0.88 CES2 (0.53) SMPD1FDPSCES2MEN1KMT2A
Pivalate SCHEMBL8873303 0.88 SMPD1 (0.47) SMPD1FDPSPPARGPPARDPPARA
Acetic Acid SCHEMBL3140123 0.87 FDPS (0.47) SMPD1FDPSCES2PPARGPPARD
Glycolic Acid SCHEMBL23466939 0.86 SMPD1 (0.46) SMPD1FDPSPPARGPPARDPPARA

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
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed