SCHEMBL9148646

SCHEMBL9148646

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA4 P22748 1/20 0.33
FAHD1 Q6P587 1/20 0.33

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
SCHEMBL23592 0.96 CA4 (0.36) CA1CA4FAHD1
SCHEMBL678901 0.92 CA4 (0.43) CA1CA4FAHD1
SCHEMBL7183669 0.92 CA1 (0.33) CA1CA4FAHD1
Zinc Ion SCHEMBL673488 0.92 CA1 (0.33) CA1CA4FAHD1
SCHEMBL8105624 0.92 CA1 (0.33) CA1CA4FAHD1
Lithium Ion SCHEMBL9249821 0.92 CA1 (0.33) CA1CA4FAHD1
SCHEMBL2353885 0.92 CA1 (0.33) CA1CA4FAHD1
Water SCHEMBL3728022 0.92 CA1 (0.33) CA1CA4FAHD1
Ammonia Solution, Strong SCHEMBL2338449 0.92 CA1 (0.33) CA1CA4FAHD1
SCHEMBL28936069 0.92

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
US-5478791-A Catalyst having nickel content present as crystallites, specified pore volume and pore size HUELS AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed