Sulfuric Acid

Sulfuric Acid

SCHEMBL8942331

N#[N+]c1cc(F)c(F)cc1F.O=S(=O)([O-])O

nearest known ligand 0.33

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Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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 SCHEMBL8942333 0.92 CA12 (0.31)
Sulfuric Acid SCHEMBL8942329 0.90 CA12 (0.30)
Sulfuric Acid SCHEMBL8849965 0.83 CYP2C19 (0.31)
SCHEMBL23804111 0.82
Hydrochloric Acid SCHEMBL8942488 0.78
Hydrochloric Acid SCHEMBL8942490 0.78
Sulfuric Acid SCHEMBL8849819 0.78 GPR27 (0.32) MEN1KMT2A
Sulfuric Acid SCHEMBL10487350 0.77 FLT1 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL8849876 0.76
Sulfuric Acid SCHEMBL8850265 0.74 PTGS2 (0.32)

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
US-5516932-A Halogenated cinnamic acids and esters thereof, processes for the preparation thereof and halogenated aryldiazonium salts HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0606058-A2 Halogenated cinnamic acids and their esters as well as processes for their preparation and halogenated aryldiazonium salts HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-13 EP disclosed