Sulfuric Acid

Sulfuric Acid

SCHEMBL8328478

Nc1ccc(F)c(C(F)(F)F)c1.O=S(=O)(O)O

nearest known ligand 0.52

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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 20)

geneUniProtsupporting neighboursconfidence
TLR9 known ✓ Q9NR96 1/20 0.39
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
KIF11 P52732 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
MPL P40238 3/20 0.41
AR P10275 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL29422813 0.88 GAA (0.64) TSHRGAAGLAPOLBKIF11
SCHEMBL146397 0.88 GAA (0.64) TSHRGAAGLAPOLBKIF11
Hydrochloric Acid SCHEMBL4372872 0.86 GAA (0.61) TSHRGAAGLAPOLBKIF11
Hydrochloric Acid SCHEMBL31582982 0.86 GAA (0.61) TSHRGAAGLAPOLBKIF11
Sulfuric Acid SCHEMBL8643162 0.83 GAA (0.53) TSHRGAAGLAPOLBALDH1A1
Sulfuric Acid SCHEMBL8641632 0.83 TSHR (0.77) TSHRGAAGLAPOLBKIF11
SCHEMBL4669253 0.78 LMNA (0.45) TSHRGAAGLAPOLBALDH1A1
SCHEMBL27638516 0.78 GAA (0.52) TSHRGAAGLAPOLBKIF11
SCHEMBL3189180 0.76 ERAP1 (0.46) KIF11ALDH1A1HSD17B10THRBSLC22A12
Hydrochloric Acid SCHEMBL28102869 0.74 ERAP1 (0.45) KIF11ALDH1A1HSD17B10THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5892126-A FORMING SULFATE SALT OF 4-FLUORO-3-TRIFLUOROMETHYL ANILINE IN WATER, DIAZOTIZING, HYDROLYZING IN AQUEOUS COPPER SULFATE SOLUTION UBE INDUSTRIES, LTD. (JP) 1999-04-06 US claimed
US-5892126-A FORMING SULFATE SALT OF 4-FLUORO-3-TRIFLUOROMETHYL ANILINE IN WATER, DIAZOTIZING, HYDROLYZING IN AQUEOUS COPPER SULFATE SOLUTION UBE INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
US-5892126-A FORMING SULFATE SALT OF 4-FLUORO-3-TRIFLUOROMETHYL ANILINE IN WATER, DIAZOTIZING, HYDROLYZING IN AQUEOUS COPPER SULFATE SOLUTION UBE INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed