SCHEMBL8766810

SCHEMBL8766810

O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.[Al+3].[Mg+2].[Ni+2]

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
FAHD1 Q6P587 1/20 0.31

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
SCHEMBL8105624 0.96 CA1 (0.33) CA1CA4FAHD1
SCHEMBL251495 0.96 CA1 (0.33) CA1CA4FAHD1
Water SCHEMBL8461126 0.92 CA1 (0.31) CA1CA4FAHD1
SCHEMBL8893016 0.92 CA4 (0.40) CA1CA4FAHD1
Zinc Ion SCHEMBL1697032 0.92 CA1 (0.31) CA1CA4FAHD1
SCHEMBL8408155 0.92 CA1 (0.31) CA1CA4FAHD1
Water SCHEMBL360484 0.92 CA1 (0.31) CA1CA4FAHD1
SCHEMBL123336 0.92 CA4 (0.36) CA1CA4FAHD1
SCHEMBL82708 0.92 CA4 (0.36) CA1CA4FAHD1
SCHEMBL23592 0.92 CA4 (0.36) CA1CA4FAHD1

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
EP-0522744-B1 Synthesis gas production ICI PLC (GB) 1997-08-13 EP disclosed
US-5252609-A Catalytic steam reforming first stream of desulfurized hydrocarbon feedstock, cooling; adiabatically low temperature steam reforming second stream, partially oxidizing and cooling and mixing two streams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
EP-0522744-A2 Synthesis gas production IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-13 EP disclosed