Bicarbonate

Bicarbonate

SCHEMBL5074467

O.O=C(O)O.[AlH3].[AlH3]

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 SCHEMBL2202761 1.00 CA1 (0.71)
Bicarbonate SCHEMBL5613815 1.00 CA1 (0.71)
Bicarbonate SCHEMBL28214952 1.00
Bicarbonate SCHEMBL5553271 1.00 CA1 (0.71)
Bicarbonate SCHEMBL904704 1.00
Bicarbonate SCHEMBL904554 1.00
Bicarbonate SCHEMBL7124048 0.94
Bicarbonate SCHEMBL5557762 0.94
Bicarbonate SCHEMBL14563606 0.94
Bicarbonate SCHEMBL81418 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645535-B2 Gastrointestinal disorders WM. WRIGLEY JR. COMPANY 2003-11-11 US claimed
WO-2002051259-A1 COATED CHEWING GUM PRODUCTS CONTAINING VARIOUS ANTACIDS WM. WRIGLEY JR. COMPANY (US) 2002-07-04 WO claimed
US-20010021403-A1 Coated chewing gum products containing various antacids WM. WRIGLEY JR. COMPANY 2001-09-13 US claimed
US-20080153880-A1 PAN-ALPHA-2 RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20070239104-A1 Anti acid G/tube pad FEERRAR ANGELA C 2007-10-11 US disclosed
US-6645535-B2 Gastrointestinal disorders WM. WRIGLEY JR. COMPANY 2003-11-11 US disclosed
WO-2002051259-A1 COATED CHEWING GUM PRODUCTS CONTAINING VARIOUS ANTACIDS WM. WRIGLEY JR. COMPANY (US) 2002-07-04 WO disclosed
US-20010021403-A1 Coated chewing gum products containing various antacids WM. WRIGLEY JR. COMPANY 2001-09-13 US disclosed
US-4539195-A ANTACIDES GIULINI CHEMIE GMBH (DE) 1985-09-03 US disclosed