Sulfuric Acid

Sulfuric Acid

SCHEMBL9806552

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)NC(CCCCCCCC)(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)(CCCCCCCC)NC(CCCCCCCC)(CCCCCCCC)CCCCCCCC.O=S(=O)(O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

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 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
EPHX1 P07099 4/20 0.42
GGPS1 O95749 6/20 0.42
PPARA Q07869 2/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FDPS P14324 8/20 0.41
TP53 P04637 1/20 0.41
CES2 O00748 1/20 0.39

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
SCHEMBL18760167 0.86 TSHR (0.47) EPHX1GGPS1ADH1BADH1CADH1A
SCHEMBL7756195 0.86 TSHR (0.47) EPHX1GGPS1ADH1BADH1CADH1A
SCHEMBL5672004 0.81 TSHR (0.39) EPHX1GGPS1ADH1BADH1CADH1A
Decane SCHEMBL13586006 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53
Octane SCHEMBL1593657 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53
Tetradecane SCHEMBL272077 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53
Hexadecane SCHEMBL2541310 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53
Sulfuric Acid SCHEMBL1484174 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53
Nonane SCHEMBL10614203 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53
Dodecane SCHEMBL1939550 0.78 TSHR (0.57) CA1CA2EPHX1PPARATP53

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
EP-0185550-B1 METHOD OF PURIFYING TANTALUM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 EP claimed
US-4673554-A QUATERNARY AMMONIUM COMPOUND IN SOLVENT EXTRACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-06-16 US claimed
EP-0185550-A2 Method of purifying tantalum SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-25 EP claimed
EP-0185550-B1 METHOD OF PURIFYING TANTALUM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 EP disclosed
US-4673554-A QUATERNARY AMMONIUM COMPOUND IN SOLVENT EXTRACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-06-16 US disclosed
EP-0185550-A2 Method of purifying tantalum SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-25 EP disclosed