Sulfuric Acid

Sulfuric Acid

SCHEMBL7127658

C[N+](C)(C)CC#N.O=S(=O)(O)O

nearest known ligand 0.33

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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
CHRM2 known ✓ P08172 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
NLRP3 Q96P20 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
Iodide SCHEMBL22034509 0.80
Bromide SCHEMBL18762448 0.80
Phosphoric Acid SCHEMBL25316932 0.77 BBOX1 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL31302818 0.75 ALDH1A1 (0.32)
Phosphoric Acid SCHEMBL25316929 0.72 BBOX1 (0.30)
Sulfuric Acid SCHEMBL27688300 0.71
Sulfuric Acid SCHEMBL17023852 0.71 ALDH1A1 (0.60) NLRP3CA5ACA5B
Sulfuric Acid SCHEMBL28120500 0.69 CA5A (0.55) CA5ACA5B
Sulfuric Acid SCHEMBL9646159 0.69
Sulfuric Acid SCHEMBL28167631 0.69

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-20030166484-A1 Coated, granular n-alkylammonium acetonitrile salts and use thereof as bleach activators BASF AKTIENGESELLSCHAFT (DE) 2003-09-04 US claimed
US-20030166484-A1 Coated, granular n-alkylammonium acetonitrile salts and use thereof as bleach activators BASF AKTIENGESELLSCHAFT (DE) 2003-09-04 US disclosed