Sulfuric Acid

Sulfuric Acid

SCHEMBL28145779

C1CCC(CSCC2CCCC2)C1.N.O=S(=O)(O)O

nearest known ligand 0.36

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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 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
TBXA2R P21731 1/20 0.33
METAP2 P50579 2/20 0.31
ALOX5 P09917 1/20 0.30
DAO P14920 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
Sulfuric Acid SCHEMBL27965567 0.95 EPHX1 (0.32) EPHX1TBXA2RALOX5
Sulfuric Acid SCHEMBL27965597 0.90 INPP5A (0.35)
SCHEMBL8976389 0.82 EPHX1 (0.35) EPHX1TBXA2RDAO
Ammonia Solution, Strong SCHEMBL27956565 0.79 EPHX1 (0.30) EPHX1
SCHEMBL7440315 0.79 EPHX1 (0.39) EPHX1TBXA2RMETAP2DAO
SCHEMBL27475440 0.79 EPHX1 (0.39) EPHX1TBXA2RMETAP2DAO
SCHEMBL27985770 0.76 EPHX1 (0.31) EPHX1
Ammonia Solution, Strong SCHEMBL27956555 0.73
SCHEMBL9802627 0.70 EPHX1 (0.38) EPHX1TBXA2RMETAP2ALOX5DAO
Sulfuric Acid SCHEMBL28012362 0.70 ALOX5 (0.32) EPHX1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958496-B Process for preparing N-substituted 1H-pyrazole-5-formate compounds and derivatives thereof 巴斯夫欧洲公司 2017-05-24 CN disclosed
CN-103874694-A Process for preparing N-substituted 1H-pyrazole-5-carbonyl chloride compounds BASF SE 2014-06-18 CN disclosed