Sulfuric Acid

Sulfuric Acid

SCHEMBL28010101

CC(O)[n+]1ccn(C)c1.O=S(=O)([O-])O

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
Sulfuric Acid SCHEMBL17273280 0.95
SCHEMBL3018813 0.93
Sulfuric Acid SCHEMBL30593821 0.87 KDM4E (0.32)
Trifluoromethanesulfonic Acid SCHEMBL3016924 0.87
SCHEMBL3012130 0.87
Iodide SCHEMBL3014010 0.85
Water SCHEMBL28967095 0.85
Bromide SCHEMBL3006965 0.85
SCHEMBL3014354 0.84
Acetic Acid SCHEMBL3014360 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103897070-B A kind of take ionic liquid as the preparation method of the hydroxyethylamyle 130/0.4 of reaction medium HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-09 CN claimed
CN-105153158-A Synthesis method for medical intermediate nitrogen-containing heterocyclic fused derivative ZHANG YAN 2015-12-16 CN claimed
CN-104892587-A Medicine intermediate triazole compound synthesis method LIU ZENGFENG 2015-09-09 CN claimed
CN-103897070-B A kind of take ionic liquid as the preparation method of the hydroxyethylamyle 130/0.4 of reaction medium HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-09 CN disclosed
CN-105153158-A Synthesis method for medical intermediate nitrogen-containing heterocyclic fused derivative ZHANG YAN 2015-12-16 CN disclosed
CN-104892587-A Medicine intermediate triazole compound synthesis method LIU ZENGFENG 2015-09-09 CN disclosed