Sulfuric Acid

Sulfuric Acid

SCHEMBL6011144

CC1=CC(C)N(CCO)C(=O)N1CCO.O=S(=O)([O-])O.[H+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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
SCHEMBL2516914 0.91 MEN1 (0.32)
Hydrochloric Acid SCHEMBL5711583 0.90 HSD17B10 (0.32)
Sulfuric Acid SCHEMBL6011181 0.86 PDE4A (0.31)
Sulfuric Acid SCHEMBL6011174 0.84 MEN1 (0.30)
Sulfuric Acid SCHEMBL6011060 0.79 L3MBTL1 (0.32)
Sulfuric Acid SCHEMBL6011183 0.79 PDE4A (0.32)
SCHEMBL1426639 0.77 MEN1 (0.33)
SCHEMBL2519290 0.73 PDE4A (0.35)
Sulfuric Acid SCHEMBL6011061 0.73 L3MBTL1 (0.33)
Sulfuric Acid SCHEMBL6011289 0.72 KDM4E (0.31)

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-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US claimed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US claimed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed