Bicarbonate

Bicarbonate

SCHEMBL9705031

COC(=O)C(C)=CC1CC1(C)C.O=C(O)O

nearest known ligand 0.34

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
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10769367 0.96 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12871889 0.96 ALDH1A1 (0.33) ALDH1A1
Bicarbonate SCHEMBL10878930 0.81
Bicarbonate SCHEMBL9324063 0.80
Bicarbonate SCHEMBL9323117 0.80
Bicarbonate SCHEMBL10876839 0.77
SCHEMBL10881509 0.77
Bicarbonate SCHEMBL4370597 0.76 APLNR (0.36)
SCHEMBL11287593 0.76 GLA (0.30)
SCHEMBL9421765 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230018-B1 PYRETHROIDE, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATTING PARASITES AS WELL AS PRECURSORS FOR THE PREPARATION OF THESE PYRETHROIDS BASF Aktiengesellschaft (DE) 1992-08-26 EP claimed
EP-0230018-B1 PYRETHROIDE, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATTING PARASITES AS WELL AS PRECURSORS FOR THE PREPARATION OF THESE PYRETHROIDS BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
EP-0011695-B1 SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACIDS AND THEIR DERIVATIVES; THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF INSECTICIDES AND ACARICIDES BAYER AG (DE) 1982-03-24 EP disclosed