Sulfuric Acid

Sulfuric Acid

SCHEMBL1851471

CC(CC(=O)O)NN(C)C.O=S(=O)(O)O

nearest known ligand 0.39

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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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.31
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
MME P08473 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL1848504 0.92 KDM7A (0.37) KDM7APHF8KDM2ATDP1ALDH1A1
Sulfuric Acid SCHEMBL1851472 0.77 PDF (0.31) KDM7APHF8KDM2ALMNA
SCHEMBL1144225 0.72 SLC22A6 (0.35) TDP1ALDH1A1LMNAMAPTPTGS2
Sulfuric Acid SCHEMBL1848485 0.72 ITGB3 (0.34)
(R)-3-Hydroxybutanoate SCHEMBL6232165 0.69 SLC22A6 (0.46) TDP1LMNAMAPTCYP2D6CYP2C19
SCHEMBL8966936 0.68 ALDH1A1 (0.36) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL18064959 0.68 CA2 (0.41) KDM7APHF8KDM2ATDP1ALDH1A1
Sulfuric Acid SCHEMBL6854842 0.67 GABRP (0.46) TDP1LMNACYP1A2SLC22A6CACNA2D1
Sulfuric Acid SCHEMBL75927 0.67 GABRP (0.46) TDP1LMNACYP1A2SLC22A6CACNA2D1
SCHEMBL19169901 0.67 ADAMTS4 (0.35) TDP1ALDH1A1LMNAMAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247573-B1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION GRINDEKS JSC (LV) 2011-05-25 EP disclosed
EP-2247573-A1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION Grindeks, a joint stock company (LV) 2010-11-10 EP disclosed
WO-2009103772-A1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION GRINDEKS, A JOINT STOCK COMPANY (LV) 2009-08-27 WO disclosed