Bicarbonate

Bicarbonate

SCHEMBL9058632

CC(C)(C)CN1C(=O)[C@H](CC(=O)O)O[C@@H](c2cccc3ccccc23)c2cc(Cl)ccc21.O=C([O-])O.[K+]

nearest known ligand 0.59

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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.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.59

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
Bicarbonate SCHEMBL9058633 0.98 FDFT1 (0.59) FDFT1
Bicarbonate SCHEMBL9058634 0.98 FDFT1 (0.59) FDFT1
SCHEMBL8318632 0.97 FDFT1 (0.62) FDFT1
SCHEMBL8318629 0.97 FDFT1 (0.62) FDFT1
SCHEMBL8318626 0.97 FDFT1 (0.62) FDFT1
SCHEMBL8322243 0.89 FDFT1 (0.64) FDFT1
SCHEMBL8326806 0.89 FDFT1 (0.74) FDFT1
SCHEMBL8326808 0.89 FDFT1 (0.74) FDFT1
SCHEMBL8322228 0.89 FDFT1 (0.64) FDFT1
SCHEMBL8795991 0.89 FDFT1 (0.60) FDFT1

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
WO-1996020184-A1 NAPHTHYL-BENZOXAZEPINES OR -BENZOTHIAZEPINES AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1996-07-04 WO disclosed