Bicarbonate

Bicarbonate

SCHEMBL8777834

CCC(CO)(CO)CO.CCC(CO)(CO)CO.O=C(O)O.O=C(O)O.O=C(O)O

nearest known ligand 0.37

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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 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.37
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
Bicarbonate SCHEMBL31122181 1.00 FFAR3 (0.37) FFAR3ALDH1A1TDP1TSHRHDAC1
Bicarbonate SCHEMBL30446842 1.00 FFAR3 (0.37) FFAR3ALDH1A1TDP1TSHRHDAC1
Bicarbonate SCHEMBL1357297 1.00 FFAR3 (0.37) FFAR3ALDH1A1TDP1TSHRHDAC1
Bicarbonate SCHEMBL8777797 1.00 FFAR3 (0.37) FFAR3ALDH1A1TDP1TSHRHDAC1
Acetic Acid SCHEMBL5145909 0.91 FFAR3 (0.41) FFAR3ALDH1A1TDP1TSHRHDAC1
Acetic Acid SCHEMBL1321915 0.91 FFAR3 (0.41) FFAR3ALDH1A1TDP1TSHRHDAC1
Acetic Acid SCHEMBL540582 0.91 FFAR3 (0.41) FFAR3ALDH1A1TDP1TSHRHDAC1
Acetic Acid SCHEMBL3683188 0.91 FFAR3 (0.41) FFAR3ALDH1A1TDP1TSHRHDAC1
Oxalic Acid SCHEMBL28437631 0.91 FFAR3 (0.35) FFAR3ALDH1A1TDP1TSHRHDAC1
Acetic Acid SCHEMBL29697739 0.91 FFAR3 (0.41) FFAR3ALDH1A1TDP1TSHRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665260-B1 Curable resin composition NIPPON PAINT CO LTD (JP) 1997-12-29 EP claimed
US-5466754-A Cyclic alkylene carbonate groups, polyol, acid catalyst NIPPON PAINT CO., LTD. (JP) 1995-11-14 US claimed
EP-0665260-A2 Curable resin composition Nippon Paint Co., Ltd. (JP) 1995-08-02 EP claimed
EP-0057360-A2 Cyclic carbonic acid derivatives, process for their preparation and their use as copolymerisation constituents for the preparation of polycarbonates BAYER AG (DE) 1982-08-11 EP claimed
EP-0665260-B1 Curable resin composition NIPPON PAINT CO LTD (JP) 1997-12-29 EP disclosed
US-5466754-A Cyclic alkylene carbonate groups, polyol, acid catalyst NIPPON PAINT CO., LTD. (JP) 1995-11-14 US disclosed
EP-0665260-A2 Curable resin composition Nippon Paint Co., Ltd. (JP) 1995-08-02 EP disclosed
EP-0369249-B1 Process for the preparation of cyclic carbonates BAYER AG (DE) 1993-12-29 EP disclosed
EP-0057360-B1 CYCLIC CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS COPOLYMERISATION CONSTITUENTS FOR THE PREPARATION OF POLYCARBONATES BAYER AG (DE) 1984-09-26 EP disclosed
EP-0057360-A2 Cyclic carbonic acid derivatives, process for their preparation and their use as copolymerisation constituents for the preparation of polycarbonates BAYER AG (DE) 1982-08-11 EP disclosed