Sulfuric Acid

Sulfuric Acid

SCHEMBL5679936

CCOc1ccc(-c2cc(OCC)c([N+]#N)cc2OCC)cc1.O=S(=O)(O)O

nearest known ligand 0.40

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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
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 3/20 0.38
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
NQO1 P15559 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ERN1 O75460 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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 SCHEMBL5679940 0.95 CA12 (0.39) ALDH1A1CYP1A2CA12CA1CA2
Sulfuric Acid SCHEMBL5679930 0.92 CA12 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL8974916 0.92 NQO1 (0.44) ALDH1A1CYP1A2FFAR1FFAR4MAPT
Hydrochloric Acid SCHEMBL3805858 0.90 NQO1 (0.42) ALDH1A1CYP1A2FFAR1FFAR4MAPT
Trifluoromethanesulfonic Acid SCHEMBL11061865 0.88 PTGS2 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL8988230 0.82 ADORA3 (0.41) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL11067113 0.79 KMT2A (0.52) ALDH1A1CYP1A2MAPTKDM4ELMNA
Sulfuric Acid SCHEMBL5676621 0.74 LTA4H (0.41) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL10784333 0.73 BACE1 (0.42) MAPTLMNATSHRHTTGAA
SCHEMBL14588712 0.72 KDM4E (0.47) ALDH1A1CYP1A2CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656551-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR Honeywell International Inc. (US) 2006-05-17 EP claimed
WO-2005019816-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR HONEYWELL INTERNATIONAL, INC. (US) 2005-03-03 WO claimed
US-20050042758-A1 Leak detection method using microencapsulated dye precursor HONEYWELL CORPORATION 2005-02-24 US claimed
US-4021243-A Diazo light-sensitive copying composition and process of using in the manufacture of screen printing stencils HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-03 US claimed
EP-1421447-A4 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS LLC (US) 2006-09-06 EP disclosed
US-7056639-B2 Imageable composition containing an infrared absorber with counter anion derived from a non-volatile acid EASTMAN KODAK COMPANY (US) 2006-06-06 US disclosed
EP-1656551-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR Honeywell International Inc. (US) 2006-05-17 EP disclosed
US-6921620-B2 Acid curable composition of an acid generator; an infrared absorber; and optional colorant KODAK POLYCHROME GRAPHICS LLC (US) 2005-07-26 US disclosed
US-20050079439-A1 Imageable composition containing an infrared absorber with counter anion derived from a non-volatile acid KODAK POLYCHROME GRAPHICS LLC (US) 2005-04-14 US disclosed
WO-2005019816-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR HONEYWELL INTERNATIONAL, INC. (US) 2005-03-03 WO disclosed
US-20050042758-A1 Leak detection method using microencapsulated dye precursor HONEYWELL CORPORATION 2005-02-24 US disclosed
US-6821583-B2 SUBSTRATE WITH A CROSSLINKED LAYER DISPOSED ON IT HAVING AN IMAGEABLE INK-RECEPTIVE LAYER THAT IS ABLATION FREE KODAK POLYCHROME GRAPHICS LLC 2004-11-23 US disclosed
US-6783911-B2 POSITIVE WORKING; HYDROXYFUNCTIONAL RESIN COMPRISING A COVALENTLY BOUND RADIATION SENSITIVE GROUP CAPABLE OF INCREASING THE SOLUBILITY OF SAID IMAGEABLE COMPOSITION IN AN ALKALINE DEVELOPER UPON EXPOSURE TO RADIATION KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US disclosed
EP-1421447-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID Kodak Polychrome Graphics LLC (US) 2004-05-26 EP disclosed
US-20040009363-A1 Substrate with a crosslinked layer disposed on it having an imageable ink-receptive layer that is ablation free KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2004-01-15 US disclosed
US-20030194635-A1 Isocyanate crosslinked imageable compositions KODAK POLYCHROME GRAPHICS, L.L.C. 2003-10-16 US disclosed
US-20030129526-A1 Containing acid curable polymer, acid generator and infrared radiation absorberr KODAK POLYCHROME GRAPHICS, L.L.C. 2003-07-10 US disclosed
US-20030113655-A1 Acid curable composition of an acid generator; an infrared absorber; and optional colorant KODAK POLYCHROME GRAPHICS, L.L.C 2003-06-19 US disclosed
WO-2003019294-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2003-03-06 WO disclosed
US-4021243-A Diazo light-sensitive copying composition and process of using in the manufacture of screen printing stencils HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-03 US disclosed