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Pivalate

Pivalate

SCHEMBL30495288

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.43
▸ CA4 P22748 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FAHD1 Q6P587 1/20 0.33
▸ FFAR3 O14843 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 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 SCHEMBL101921 1.00 — —
Pivalate SCHEMBL3093699 0.92 CA1 (0.43) CA1CA4ALDH1A1TSHRFAHD1
Pivalate SCHEMBL18451999 0.92 — —
Pivalate SCHEMBL9128971 0.92 CA1 (0.43) CA1CA4ALDH1A1TSHRFAHD1
Pivalate SCHEMBL1314523 0.92 CA1 (0.43) CA1CA4ALDH1A1TSHRFAHD1
Pivalate SCHEMBL25243131 0.92 CA1 (0.43) CA1CA4ALDH1A1TSHRFAHD1
Pivalate SCHEMBL2349136 0.92 — —
Pivalate SCHEMBL1685640 0.92 CA1 (0.43) CA1CA4ALDH1A1TSHRFAHD1
Pivalate SCHEMBL1043179 0.92 — —
Pivalate SCHEMBL2204587 0.92 CA1 (0.43) CA1CA4ALDH1A1TSHRFAHD1

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-112397651-B Pivalate-doped all-inorganic perovskite solar cell and preparation method thereof 华北电力大学 2023-07-14 — — CN disclosed