Sulfuric Acid

Sulfuric Acid

SCHEMBL7203708

C=CCOCC=C.C=CCOCC=C.C=CCOCC=C.N.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.38

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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 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 4/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CA4 P22748 1/20 0.33
CA12 O43570 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
Sulfuric Acid SCHEMBL608649 1.00 CA2 (0.38) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL608648 1.00 CA2 (0.38) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL22584755 1.00 CA2 (0.38) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL6919355 0.97 CA2 (0.37) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL6919353 0.97 CA2 (0.37) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL2433745 0.97 CA2 (0.39) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL31310 0.97 CA2 (0.39) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL27511669 0.97 CA2 (0.39) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL6251178 0.94 CA2 (0.38) CA2CA1CA7CA9ALDH1A1
Sulfuric Acid SCHEMBL19811355 0.94 CA2 (0.38) CA2CA1CA7CA9ALDH1A1

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
US-6583178-B2 Surfactant mixture COLGATE PALMOLIVE COMPANY 2003-06-24 US disclosed