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Pivalate

Pivalate

SCHEMBL27747014

CC(C)(C)C(=O)O.CCC(=O)OC(C)=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.35
▸ FFAR3 O14843 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NAAA Q02083 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
SCHEMBL21753730 0.84 ALDH1A1 (0.56) ALDH1A1TSHRTDP1FFAR3HSD17B10
SCHEMBL35072 0.84 — —
SCHEMBL6276548 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1FFAR3HSD17B10
SCHEMBL10745267 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1FFAR3HSD17B10
SCHEMBL16344065 0.82 — —
SCHEMBL9301053 0.82 — —
SCHEMBL10882840 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1FFAR3HSD17B10
SCHEMBL21632448 0.82 — —
SCHEMBL10412519 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1FFAR3HSD17B10
SCHEMBL2259942 0.82 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101262845-A Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEM CO (US) 2008-09-10 — — CN disclosed