Sulfuric Acid

Sulfuric Acid

SCHEMBL9614191

CCCCCCCCCc1ccccc1OC(C)O.O=S(=O)(O)O

nearest known ligand 0.51

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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 11)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 6/20 0.44
ADRB1 known ✓ P08588 6/20 0.44
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
PPARA Q07869 2/20 0.46
LIPG Q9Y5X9 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
PPARG P37231 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41

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
SCHEMBL21989 0.93 THRA (0.54) THRATHRBPPARALIPGALOX5
SCHEMBL382121 0.93 THRA (0.54) THRATHRBPPARALIPGALOX5
SCHEMBL28552517 0.93 THRA (0.54) THRATHRBPPARALIPGALOX5
Ammonia Solution, Strong SCHEMBL11585182 0.91 THRA (0.52) THRATHRBPPARALIPGALOX5
Phosphoric Acid SCHEMBL1347353 0.89 THRA (0.51) THRATHRBPPARALIPGALOX5
SCHEMBL10481827 0.87 THRA (0.46) THRATHRBPPARALIPGALOX5
Sulfuric Acid SCHEMBL11441986 0.84 THRA (0.57) THRATHRBPPARALIPGALOX5
Sulfuric Acid SCHEMBL29898210 0.84 THRA (0.57) THRATHRBPPARALIPGALOX5
Sulfuric Acid SCHEMBL284011 0.84 THRA (0.57) THRATHRBPPARALIPGALOX5
Sulfuric Acid SCHEMBL1712538 0.84 THRA (0.57) THRATHRBPPARALIPGALOX5

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-0189950-B1 CEMENT COMPOSITION FOR CEMENTING OF WELLS ENABLING GAS CHANNELLING IN THE CEMENTED ANNULUS TO BE INHIBITED BY RIGHT-ANGLE SETTING PUMPTECH N.V. (BE) 1989-08-23 EP claimed
EP-0378544-A4 GERMICIDAL COMPOSITION 1992-05-20 EP disclosed
EP-0378544-A1 GERMICIDAL COMPOSITION MDT CORPORATION (US) 1990-07-25 EP disclosed
US-4867897-A NONYLPHENOLPOLYOXYETHYLENE GLYCOL SULFATE MDT CORPORATION (US) 1989-09-19 US disclosed
WO-1989000857-A1 GERMICIDAL COMPOSITION MDT CORPORATION (US) 1989-02-09 WO disclosed