SCHEMBL19987843

SCHEMBL19987843

O=C([O-])c1ccc(C(=O)[O-])s1.O=C([O-])c1ccc(C(=O)[O-])s1.O=C([O-])c1ccc(C(=O)[O-])s1.[Al+3].[Al+3]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DAO P14920 5/20 0.37
F2 P00734 1/20 0.37
GSK3B P49841 1/20 0.37
CA2 P00918 9/20 0.36
CA4 P22748 1/20 0.36
HPGD P15428 1/20 0.35
CA1 P00915 8/20 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
Silver SCHEMBL11598748 0.94 CES2 (0.39) CES2CES1DAOF2GSK3B
SCHEMBL11730704 0.94 CA2 (0.42) CES2CES1DAOF2GSK3B
SCHEMBL17961695 0.87 DAO (0.38) CES2CES1DAOF2GSK3B
Potassium Ion SCHEMBL6115882 0.78 NPSR1 (0.55) DAOCA2HPGDCA1
SCHEMBL11675097 0.78 CA2 (0.40) DAOCA2CA4HPGD
Lithium Ion SCHEMBL28276524 0.78 F2 (0.61) DAOF2GSK3BHPGD
SCHEMBL28278372 0.78 F2 (0.61) DAOF2GSK3BCA2HPGD
Lithium Ion SCHEMBL6561676 0.78 DAO (0.61) DAOHPGD
SCHEMBL70493 0.69 DAO (0.67) DAOHPGD
Thiophene Carboxylic Acid SCHEMBL9550537 0.69 CES2 (0.62) CES2CES1DAOGSK3BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224856-B2 Adsorbents comprising organic-inorganic hybrid nanoporous materials for sorption of water or alcohol and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-18 US disclosed
EP-3297756-B1 ADSORBENTS COMPRISING ORGANIC-INORGANIC HYBRID NANOPOROUS MATERIALS FOR SORPTION OF WATER OR ALCOHOL KOREA RES INST CHEMICAL TECH (KR) 2021-04-07 EP disclosed
US-20180133684-A1 ADSORBENTS COMPRISING ORGANIC-INORGANIC HYBRID NANOPOROUS MATERIALS FOR SORPTION OF WATER OR ALCOHOL AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-17 US disclosed
EP-3297756-A1 ADSORBENTS COMPRISING ORGANIC-INORGANIC HYBRID NANOPOROUS MATERIALS FOR SORPTION OF WATER OR ALCOHOL AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2018-03-28 EP disclosed