Sulfuric Acid

Sulfuric Acid

SCHEMBL28255674

N#CC#N.O=S(=O)(O)O.c1c[nH]cn1

nearest known ligand 0.56

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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 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
FKBP5 Q13451 1/20 0.56

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 SCHEMBL27743247 0.93 ALDH1A1 (0.65) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL27840617 0.91 ALDH1A1 (0.68) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL573279 0.91 ALDH1A1 (0.68) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL3670871 0.91 ALDH1A1 (0.68) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL11024458 0.89 ALDH1A1 (0.65) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL20972251 0.89 ALDH1A1 (0.65) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL20972250 0.89 ALDH1A1 (0.65) ALDH1A1FKBP5
Sulfuric Acid SCHEMBL916813 0.89 ALDH1A1 (0.65) ALDH1A1FKBP5
Imidazole SCHEMBL28201690 0.89
Sulfuric Acid SCHEMBL20972299 0.86 ALDH1A1 (0.62) ALDH1A1FKBP5

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-108911939-A A method of using ion liquid abstraction rectifying ADSORPTIVE SEPARATION OF NORMAL and hexahydrotoluene 华东理工大学 2018-11-30 CN claimed
CN-108911939-A A method of using ion liquid abstraction rectifying ADSORPTIVE SEPARATION OF NORMAL and hexahydrotoluene 华东理工大学 2018-11-30 CN disclosed