Sulfuric Acid

Sulfuric Acid

SCHEMBL8942333

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

nearest known ligand 0.34

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Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

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
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 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 SCHEMBL8942329 0.98 CA12 (0.30) CA12CA1CA2CA7CA13
Sulfuric Acid SCHEMBL8942331 0.92 MEN1 (0.31)
SCHEMBL23804111 0.86
Hydrochloric Acid SCHEMBL8942155 0.84
Sulfuric Acid SCHEMBL8850265 0.82 PTGS2 (0.32) CA1CA2
Hydrochloric Acid SCHEMBL8942490 0.81
Hydrochloric Acid SCHEMBL8942488 0.81
Sulfuric Acid SCHEMBL8942306 0.80 PTGS2 (0.31) CA1CA2
SCHEMBL8849876 0.79
Sulfuric Acid SCHEMBL8850659 0.76 SOS1 (0.32) CA1CA2

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