Bicarbonate

Bicarbonate

SCHEMBL7434636

O=C(O)O.OC1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.61

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
SCHEMBL16874773 0.86 MAOB (0.58) REN
SCHEMBL16885978 0.86 MAOB (0.58) REN
Bicarbonate SCHEMBL7548143 0.86 REN (0.60) REN
Bicarbonate SCHEMBL7441898 0.85 REN (0.67) REN
SCHEMBL7446505 0.85 REN (0.51) REN
Hydrochloric Acid SCHEMBL28261567 0.85 MAOB (0.57) REN
Hydrochloric Acid SCHEMBL16874669 0.85 MAOB (0.57) REN
Bicarbonate SCHEMBL7447376 0.85 REN (0.45) REN
SCHEMBL6958061 0.82 REN (0.85) REN
SCHEMBL7566213 0.82 REN (0.63) REN

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-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed