Sulfuric Acid

Sulfuric Acid

SCHEMBL5679707

COc1cccc(-c2cc(OC)c([N+]#N)cc2OC)c1.O=S(=O)(O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

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
TUBB4A known ✓ P04350 1/20 0.38
TUBB known ✓ P07437 1/20 0.38
TUBA3C known ✓ P0DPH7 1/20 0.38
TUBA1B known ✓ P68363 1/20 0.38
TUBA4A known ✓ P68366 1/20 0.38
TUBB4B known ✓ P68371 1/20 0.38
TUBB3 known ✓ Q13509 1/20 0.38
TUBB2A known ✓ Q13885 1/20 0.38
TUBB8 known ✓ Q3ZCM7 1/20 0.38
TUBA3E known ✓ Q6PEY2 1/20 0.38
TUBA1A known ✓ Q71U36 1/20 0.38
TUBA1C known ✓ Q9BQE3 1/20 0.38
TUBB6 known ✓ Q9BUF5 1/20 0.38
TUBB2B known ✓ Q9BVA1 1/20 0.38
TUBB1 known ✓ Q9H4B7 1/20 0.38
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48

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 SCHEMBL5679712 0.95 CYP1A1 (0.46) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Sulfuric Acid SCHEMBL5679701 0.92 CYP1A1 (0.48) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Hydrochloric Acid SCHEMBL3804779 0.90 CYP1A1 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL30112655 0.81 CYP3A4 (0.69) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2087935 0.77 CYP1A1 (0.65) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1856965 0.75 ERN1 (0.48) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Sulfuric Acid SCHEMBL8523516 0.73 ACLY (0.49)
SCHEMBL11060656 0.72 BACE1 (0.38) ALDH1A1SYKL3MBTL1
SCHEMBL11236398 0.72 BACE1 (0.38) ALDH1A1SYKL3MBTL1
Fluoride SCHEMBL5574410 0.70 ERN1 (0.47) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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 18 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
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