Bicarbonate

Bicarbonate

SCHEMBL7547243

O=C(O)O.OCCOc1ccc(C2CCNCC2OCc2cc(O)c3ccccc3c2)cc1

nearest known ligand 0.63

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 19/20 0.63

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
SCHEMBL6042048 0.92 REN (0.71) REN
SCHEMBL6041452 0.88 REN (0.80) REN
Bicarbonate SCHEMBL7547904 0.88 REN (0.80) REN
SCHEMBL6042284 0.88 REN (0.77) REN
SCHEMBL7075609 0.88 REN (0.77) REN
SCHEMBL7084283 0.84 REN (0.83) REN
Bicarbonate SCHEMBL7549397 0.84 REN (0.65) REN
Bicarbonate SCHEMBL7551646 0.84 REN (0.53) REN
SCHEMBL8197257 0.83 REN (0.63) REN
SCHEMBL6042327 0.82 REN (0.58) 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