SCHEMBL9325401

SCHEMBL9325401

O=C([O-])CC(O)(CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)C(=O)[O-].[Mn+2]

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.50
ALDH1A1 P00352 1/20 0.35

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
Zinc Ion SCHEMBL19813209 0.97 CA4 (0.50) CA4ALDH1A1
SCHEMBL22227457 0.97 CA4 (0.50) CA4ALDH1A1
SCHEMBL15995536 0.97 CA4 (0.50) CA4ALDH1A1
SCHEMBL7121071 0.95 CA4 (0.53) CA4ALDH1A1
Water SCHEMBL5360332 0.95 CA4 (0.48) CA4ALDH1A1
Citric Acid SCHEMBL7055559 0.91 CA4 (0.49) CA4ALDH1A1
Citric Acid SCHEMBL12481970 0.90 CA4 (0.47) CA4ALDH1A1
SCHEMBL29234711 0.87 CA4 (0.55) CA4ALDH1A1
SCHEMBL4617845 0.84 ALDH1A1 (0.48) CA4ALDH1A1
Citric Acid SCHEMBL3633955 0.83 CA4 (0.46) CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581795-A1 GAS GENERATOR ORLITZKY, Anton (CA) 1994-02-09 EP disclosed
WO-1992019571-A1 GAS GENERATOR ORLITZKY, ANTON (CA) 1992-11-12 WO disclosed