Bicarbonate

Bicarbonate

SCHEMBL5346453

O=C([O-])O.[K+].[Na+].[Na+].[OH-].[OH-]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Bicarbonate SCHEMBL242848 1.00
Bicarbonate SCHEMBL28109925 1.00 CA4 (0.64)
Bicarbonate SCHEMBL29820692 0.95
Bicarbonate SCHEMBL457109 0.95
Bicarbonate SCHEMBL647886 0.95
Bicarbonate SCHEMBL27529987 0.95 CA4 (0.55)
Bicarbonate SCHEMBL1573936 0.95 CA4 (0.70)
Bicarbonate SCHEMBL23525301 0.90
Bicarbonate SCHEMBL16180759 0.90
Bicarbonate SCHEMBL4097336 0.90 CA4 (0.64)

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-7241782-B1 Polymorph V of torasemide PLIVA, FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 2007-07-10 US claimed