Sulfuric Acid

Sulfuric Acid

SCHEMBL8628604

CC(C)(C)c1ccccc1[I+]c1ccccc1C(C)(C)C.O=S(=O)([O-])O

nearest known ligand 0.41

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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 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 4/20 0.39
CA2 P00918 1/20 0.38
RBP4 P02753 4/20 0.36
PTGS2 P35354 3/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL7908278 0.91 ALDH1A1 (0.38) TDP1ALDH1A1TSHRHSD11B1CA2
Sulfuric Acid SCHEMBL8628602 0.91 ALDH1A1 (0.38) TDP1ALDH1A1TSHRHSD11B1CA2
Trifluoromethanesulfonic Acid SCHEMBL29851847 0.86 HSD11B1 (0.43) TDP1ALDH1A1TSHRHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL59634 0.86 HSD11B1 (0.43) TDP1ALDH1A1TSHRHSD11B1
SCHEMBL2634677 0.84 HSD11B1 (0.36) TDP1ALDH1A1TSHRHSD11B1RBP4
SCHEMBL9617862 0.84 HSD11B1 (0.36) TDP1ALDH1A1TSHRHSD11B1CA2
SCHEMBL31582661 0.84 HSD11B1 (0.36) TDP1ALDH1A1TSHRHSD11B1RBP4
SCHEMBL216497 0.84 ALDH1A1 (0.48) TDP1ALDH1A1TSHRCA2RBP4
SCHEMBL29851795 0.84 ALDH1A1 (0.48) TDP1ALDH1A1TSHRCA2RBP4
Phenolsulfonic Acid SCHEMBL5699278 0.84 ENPP2 (0.42) TDP1ALDH1A1TSHRHSD11B1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848288-A1 Resist materials LUCENT TECHNOLOGIES INC. (US) 1998-06-17 EP disclosed