Sulfuric Acid

Sulfuric Acid

SCHEMBL3636337

CCCCCn1ccnc1.O=S(=O)([O-])O.[H+]

nearest known ligand 0.70

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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.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.70
QPCT Q16769 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
Sulfuric Acid SCHEMBL9939197 0.95 TBXAS1 (0.62) TBXAS1QPCTALDH1A1
Sulfuric Acid SCHEMBL28099141 0.92 TBXAS1 (0.77) TBXAS1QPCT
Sulfuric Acid SCHEMBL28371616 0.90 TBXAS1 (0.74) TBXAS1QPCT
Sulfuric Acid SCHEMBL28716245 0.90 TBXAS1 (0.80) TBXAS1QPCT
Sulfuric Acid SCHEMBL29193972 0.90 TBXAS1 (0.80) TBXAS1QPCT
Sulfuric Acid SCHEMBL27719236 0.90 TBXAS1 (0.80) TBXAS1QPCT
Sulfuric Acid SCHEMBL29193967 0.90 TBXAS1 (0.80) TBXAS1QPCT
SCHEMBL1274382 0.90 TBXAS1 (0.74) TBXAS1QPCTALDH1A1
Sulfuric Acid SCHEMBL28192553 0.90 TBXAS1 (0.80) TBXAS1QPCT
SCHEMBL29193964 0.89 TBXAS1 (0.77) TBXAS1QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652193-A2 TREATMENT Imperial Innovations Limited (GB) 2013-10-23 EP disclosed
EP-2150529-B1 METHOD OF MAKING A LACTAM IN AN IONIC LIQUID DSM IP ASSETS BV (NL) 2013-03-27 EP disclosed
WO-2012080702-A2 TREATMENT IMPERIAL INNOVATIONS LTD (GB) 2012-06-21 WO disclosed
EP-2150529-A1 METHOD OF MAKING A LACTAM IN AN IONIC LIQUID DSM IP Assets B.V. (NL) 2010-02-10 EP disclosed
WO-2008145312-A1 METHOD OF MAKING A LACTAM IN AN IONIC LIQUID DSM IP ASSETS B.V. (NL) 2008-12-04 WO disclosed