Sulfuric Acid

Sulfuric Acid

SCHEMBL2514062

C1=CCOOCC1.N.N.O=S(=O)(O)O

nearest known ligand 0.00

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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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL4956142 0.98
Sulfuric Acid SCHEMBL17672948 0.74 CA5A (0.50)
Sulfuric Acid SCHEMBL2512992 0.71
Sulfuric Acid SCHEMBL13280458 0.70
Sulfuric Acid SCHEMBL4791378 0.64 CA5A (0.38)
Cyclohexene SCHEMBL27281799 0.63 CA5A (0.43)
Sulfuric Acid SCHEMBL5131260 0.63 CA5A (0.43)
Sulfuric Acid SCHEMBL8601317 0.63 CA5A (0.43)
Sulfuric Acid SCHEMBL11824871 0.63 CA5A (0.43)
Sulfuric Acid SCHEMBL28124014 0.61 CA5A (0.50)

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
EP-2539319-A1 ESTER COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2013-01-02 EP disclosed
WO-2011105524-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-01 WO disclosed