Bicarbonate

Bicarbonate

SCHEMBL5686126

CC1(C)CC1C=C(Cl)C(F)(F)F.O=C(O)O

nearest known ligand 0.36

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 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 SCHEMBL7600398 1.00 MEN1 (0.35) MEN1KMT2ATDP1
Bicarbonate SCHEMBL5196976 1.00 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL11210489 0.96 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL11208606 0.96 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL5197845 0.96 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL4623998 0.96 MEN1 (0.36) MEN1KMT2ATDP1
SCHEMBL5399203 0.96 MEN1 (0.36) MEN1KMT2ATDP1
SCHEMBL25261479 0.92 MEN1 (0.32) MEN1KMT2ATDP1
SCHEMBL3365310 0.92 MEN1 (0.32) MEN1KMT2ATDP1
SCHEMBL9618652 0.92 MEN1 (0.32) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832873-B1 Preparation of cyclopropane esters SYNGENTA LTD (GB) 2006-03-08 EP claimed
EP-0793638-B1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LTD (GB) 1999-06-30 EP claimed
EP-0700375-B1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LTD (GB) 1998-12-23 EP claimed
EP-0793637-B1 HALOGENATED ESTERS USEFUL AS INTERMEDIATES FOR INSECTICIDES ZENECA LTD (GB) 1998-10-28 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 claimed
EP-0008340-B1 FLUOROALKENYL-SUBSTITUTED CYCLOPROPANECARBOXYLIC ACID ESTERS, INTERMEDIATE PRODUCTS THEREFOR, PREPARATION OF THE COMPOUNDS AND THEIR UTILIZATION AS INSECTICIDES AND/OR ACARICIDES BAYER AG (DE) 1983-12-21 EP claimed
WO-2012150206-A2 NOVEL CYCLOPROPANOIC ACID ESTER DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150221-A2 NOVEL HALOGENATED BENZYL ALCOHOL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150223-A1 NOVEL PYRIDINE METHYL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150207-A1 USE OF CYCLOPROPANECARBOXYLIC ACID ESTER DERIVATIVES FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150208-A1 USE OF SUBSTITUTED BENZYL ALCOHOL ESTERS OF CYCLOPROPANECARBOXYLIC ACID FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2003053905-A1 A PROCESS FOR THE PRODUCTION OF 1R PYRETHROID ESTERS SYNGENTA LIMITED (GB) 2003-07-03 WO disclosed
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-0075146-B1 BENZYL ESTERS WITH FLUOROSUBSTITUTED ETHER GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR UTILISATION AS INSECTICIDES BAYER AG (DE) 1985-10-23 EP disclosed
EP-0057384-B1 4-FLUORO-3-HALOPHENOXY-BENZYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PESTICIDES, ALSO INTERMEDIATE PRODUCTS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-07-25 EP disclosed
EP-0056154-B1 PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-3-VINYL-CYCLOPROPANE-CARBOXYLIC ACIDS AND THEIR ESTERS BAYER AG (DE) 1984-05-23 EP disclosed
EP-0008340-B1 FLUOROALKENYL-SUBSTITUTED CYCLOPROPANECARBOXYLIC ACID ESTERS, INTERMEDIATE PRODUCTS THEREFOR, PREPARATION OF THE COMPOUNDS AND THEIR UTILIZATION AS INSECTICIDES AND/OR ACARICIDES BAYER AG (DE) 1983-12-21 EP disclosed
EP-0075146-A1 Benzyl esters with fluorosubstituted ether groups, process for their preparation and their utilisation as insecticides BAYER AG (DE) 1983-03-30 EP disclosed
EP-0056154-A1 Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropane-carboxylic acids and their esters BAYER AG (DE) 1982-07-21 EP disclosed
EP-0008340-A1 Fluoroalkenyl-substituted cyclopropanecarboxylic acid esters, intermediate products therefor, preparation of the compounds and their utilization as insecticides and/or acaricides BAYER AG (DE) 1980-03-05 EP disclosed