Sulfuric Acid

Sulfuric Acid

SCHEMBL3650815

O=S(=O)(O)O.[N-]=[N+]=[N-].[Na+]

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 SCHEMBL3650810 1.00 CA5A (0.55)
Sulfuric Acid SCHEMBL16448274 1.00 CA5A (0.55)
Sulfuric Acid SCHEMBL28642679 1.00 CA5A (0.55)
Sulfuric Acid SCHEMBL2840688 0.95
Sulfuric Acid SCHEMBL30712828 0.85
Sulfuric Acid SCHEMBL9546784 0.84 CA5A (0.46)
Sulfuric Acid SCHEMBL31464825 0.80
Sulfuric Acid SCHEMBL10744664 0.80 CA5A (0.86)
Sulfuric Acid SCHEMBL11443708 0.80 CA5A (0.86)
Sulfuric Acid SCHEMBL11574785 0.80 CA5A (0.86)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227492-B2 Sulfoxamine derivatives as factor Xa inhibitors CADILA HEALTHCARE LIMITED (IN) 2012-07-24 US disclosed
US-20110065717-A1 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2011-03-17 US disclosed
EP-2188257-A2 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS Cadila Healthcare Limited (IN) 2010-05-26 EP disclosed
WO-2009053999-A2 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-04-30 WO disclosed