Pivalate

Pivalate

SCHEMBL6482998

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 5/20 0.44
LMNA P02545 1/20 0.39
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
TET2 Q6N021 1/20 0.33
TP53 P04637 1/20 0.32
ACLY P53396 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
FGFR4 P22455 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 SCHEMBL28522169 0.87 ALDH1A1 (0.44) ALDH1A1TSHRLMNACYP2C19CYP2D6
Pivalate SCHEMBL28490918 0.87 ALDH1A1 (0.44) ALDH1A1TSHRLMNACYP2C19CYP2D6
Pivalate SCHEMBL27990395 0.87 ALDH1A1 (0.44) ALDH1A1TSHRLMNACYP2C19CYP2D6
Pivalate SCHEMBL10718027 0.84 LMNA (0.62) ALDH1A1TSHRLMNACYP2C19CYP2D6
Pivalate SCHEMBL28069023 0.82 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C19CYP2D6HIF1A
Pivalate SCHEMBL27519097 0.82
Pivalate SCHEMBL4318862 0.82
Pivalate SCHEMBL5116637 0.82 TSHR (0.61) ALDH1A1TSHRLMNACYP2C19CYP2D6
Pivalate SCHEMBL332912 0.82 TSHR (0.61) ALDH1A1TSHRLMNACYP2C19CYP2D6
Pivalate SCHEMBL3613 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852852-B2 Method of producing regioselectively substituted esters of oligo- and polysaccharides WOLFF WALSRODE AG (DE) 2005-02-08 US disclosed
US-20030162745-A1 Method of producing regioselectively substituted esters of oligo- and polysaccharides DOW GLOBAL TECHNOLOGIES INC. 2003-08-28 US disclosed
US-6489468-B1 REGIOSELECTIVELY SUBSTITUTED, PREDOMINANTLY AT THE C2 POSITION OF THE ANHYDROGLUCOSE UNIT (AGU); STARCH ESTERS WOLFF WALSRODE AG (DE) 2002-12-03 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-20030162745-A1 Method of producing regioselectively substituted esters of oligo- and polysaccharides OSTC, SI, OGT ALDH1A1 3321/4885TSHR 3093/4885LMNA 4087/4885

“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.