Sulfuric Acid

Sulfuric Acid

SCHEMBL17673144

CCNOCCO.CCNOCCO.O=S(=O)(O)O

nearest known ligand 0.35

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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 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CNR2 P34972 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL243710 0.90
Acetic Acid SCHEMBL5091173 0.84 ACHE (0.34) ALDH1A1CNR2TRPV1ACHETSHR
Sulfuric Acid SCHEMBL1022771 0.77 CA5A (0.33) TSHR
SCHEMBL9736798 0.76 MEN1 (0.52) ALDH1A1TSHR
SCHEMBL28162901 0.76 ALDH1A1 (0.35) ALDH1A1CNR2TRPV1ACHETSHR
Sulfuric Acid SCHEMBL28616210 0.75 TSHR (0.32) TSHR
SCHEMBL2058399 0.75
Sulfuric Acid SCHEMBL28278977 0.75 TSHR (0.32) TSHR
SCHEMBL1829931 0.75 ALDH1A1 (0.32) ALDH1A1CNR2TRPV1TSHR
SCHEMBL28162893 0.74 ALDH1A1 (0.33) ALDH1A1CNR2TRPV1ACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3203839-A1 ALKANOLAMINE SULFATE WATER CONDITIONERS Huntsman Petrochemical LLC (US) 2017-08-16 EP claimed
US-20170202215-A1 Alkanolamine Sulfate Water Conditioners HUNTSMAN PETROCHEMICAL LLC (US) 2017-07-20 US claimed
WO-2016057170-A1 ALKANOLAMINE SULFATE WATER CONDITIONERS HUNTSMAN PETROCHEMICAL LLC (US) 2016-04-14 WO claimed
CN-106163278-A Alkanolamine sulfate water conditioners 亨斯迈石油化学有限责任公司 2016-11-23 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170202215-A1 Alkanolamine Sulfate Water Conditioners SRM, SGMS1, SGMS2 ALDH1A1 387/4885CNR2 94/4885TRPV1 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.