Pivalate

Pivalate

SCHEMBL5445290

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(CO)CO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TET2 Q6N021 1/20 0.32
GGT1 P19440 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
FFAR3 O14843 1/20 0.30
ACLY P53396 1/20 0.30
NAALAD2 Q9Y3Q0 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 SCHEMBL23754639 1.00 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL6879326 0.94 FFAR3 (0.39) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Bicarbonate SCHEMBL5187608 0.87 TSHR (0.39) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL29949709 0.85 LMNA (0.46) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL26601396 0.85 LMNA (0.46) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9297602 0.85 TSHR (0.65) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Acetic Acid SCHEMBL28895099 0.84 FFAR3 (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Oxalic Acid SCHEMBL28184574 0.84 TSHR (0.37) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL27623020 0.84 TSHR (0.44) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrogen Peroxide SCHEMBL28053594 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190003-A1 Cosmetic composition comprising a particular ester, and uses thereof L'OREAL S.A. (FR) 2007-08-16 US claimed
US-20070190003-A1 Cosmetic composition comprising a particular ester, and uses thereof L'OREAL S.A. (FR) 2007-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070190003-A1 Cosmetic composition comprising a particular ester, and uses thereof CUTA, MGLL, DAGLA TSHR 1657/4885ALDH1A1 151/4885CYP2D6 326/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.