Bicarbonate

Bicarbonate

SCHEMBL7549397

COc1ccccc1COc1cc(COC2CNCCC2c2ccc(OCCO)cc2)cc2ccccc12.O=C(O)O

nearest known ligand 0.65

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 0.65

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
Hydrochloric Acid SCHEMBL6042190 0.89 REN (0.69) REN
SCHEMBL6955886 0.86 REN (0.62) REN
Bicarbonate SCHEMBL7551646 0.85 REN (0.53) REN
SCHEMBL6042027 0.85 REN (0.50) REN
Bicarbonate SCHEMBL7547243 0.84 REN (0.63) REN
SCHEMBL7081516 0.84 REN (0.49) REN
SCHEMBL7550866 0.84 REN (0.68) REN
SCHEMBL7077966 0.82 REN (0.54) REN
Bicarbonate SCHEMBL7547904 0.82 REN (0.80) REN
SCHEMBL7545933 0.81 REN (0.55) 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