Sulfuric Acid

Sulfuric Acid

SCHEMBL28285259

CC(O)(O)NO.O=S(=O)(O)O

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CA2 P00918 5/20 0.37
CA1 P00915 4/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL122036 0.82
Sulfuric Acid SCHEMBL6422926 0.80 CA5A (0.40) CA5ACA5BCA2CA1CA12
Hydrochloric Acid SCHEMBL11060692 0.78
Tert-Butanol SCHEMBL7737583 0.78 CA5A (0.55) CA5ACA5BCA2CA1CA9
Sulfuric Acid SCHEMBL22579019 0.78 CA5A (0.55) CA5ACA5BCA2CA1CA9
Sulfuric Acid SCHEMBL2295282 0.78 CA5A (0.38) CA5ACA5BCA2CA1
Tert-Butanol SCHEMBL28914678 0.74 CA5A (0.50) CA5ACA5BCA2CA1CA9
Sulfuric Acid SCHEMBL8817372 0.74 CA5A (0.50) CA5ACA5BCA2CA1CA9
Sulfuric Acid SCHEMBL9744014 0.73 CA5A (0.60) CA5ACA5BCA2CA1CA9
Sulfuric Acid SCHEMBL28651693 0.73 CA5A (0.40) CA5ACA5BCA2ALDH1A1TSHR

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-109468347-A The method of biocatalysis synthesizing optical activity 2R- fluorocarboxylic acid and 2R- hydroxycarboxylic acid 湖南师范大学 2019-03-15 CN disclosed