Sulfuric Acid

Sulfuric Acid

SCHEMBL2103289

CC(O)[N+](C)(C)C(C)O.CC(O)[N+](C)(C)C(C)O.O=S(=O)([O-])[O-]

nearest known ligand 0.35

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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
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL989045 0.92
Sulfuric Acid SCHEMBL2103290 0.85 TP53 (0.36) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL3009309 0.85 POLB (0.32)
Trifluoromethanesulfonic Acid SCHEMBL3008770 0.83 GPR3 (0.31)
SCHEMBL4443598 0.82 CA2 (0.33)
SCHEMBL232452 0.80
SCHEMBL3002497 0.78 RECQL (0.34) TSHR
Water SCHEMBL2778703 0.77 ALDH1A1 (0.39) ALDH1A1
Bromide SCHEMBL3006377 0.77 ALDH1A1 (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL156327 0.77 ALDH1A1 (0.39) ALDH1A1

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-8163951-B2 Method for producing quaternary ammonium compounds BASF AKTIENGESELLSCHAFT (DE) 2012-04-24 US disclosed
US-20070254822-A1 Method for Producing Quaternary Ammonium Compounds BASF AKTIENGESELLSCHAFT (DE) 2007-11-01 US disclosed