Bicarbonate

Bicarbonate

SCHEMBL175210

COC(=O)C(=O)OC.O=C(O)O

nearest known ligand 0.50

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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
ALDH1A1 P00352 3/20 0.50
EGLN1 Q9GZT9 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TET2 Q6N021 1/20 0.39
TSHR P16473 5/20 0.39
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TGFBR1 P36897 1/20 0.39
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8295 0.91
SCHEMBL6950834 0.91 ALDH1A1 (0.56) ALDH1A1EGLN1CA2TET2TSHR
Acetic Acid SCHEMBL28755581 0.88 ALDH1A1 (0.56) ALDH1A1EGLN1CA2TET2TSHR
Oxalic Acid SCHEMBL21633322 0.88 ALDH1A1 (0.47) ALDH1A1EGLN1TET2TSHRHCAR2
Ammonia Solution, Strong SCHEMBL11801654 0.87
SCHEMBL28824476 0.87
SCHEMBL28352291 0.87
SCHEMBL28791576 0.87
Methyl Alcohol SCHEMBL15233825 0.87 ALDH1A1 (0.53) ALDH1A1EGLN1TET2TSHRHCAR2
SCHEMBL28345369 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611769-B1 REACTIVE RECOVERY OF DIMETHYL CARBONATE FROM DIMETHYL CARBONATE/METHANOL MIXTURES HUNTSMAN PETROCHEMICAL LLC (US) 2017-06-07 EP disclosed
US-9284293-B2 Reactive recovery of dimethyl carbonate from dimethyl carbonate/methanol mixtures HUNTSMAN PETROCHEMICAL LLC (US) 2016-03-15 US disclosed
EP-2611769-A1 REACTIVE RECOVERY OF DIMETHYL CARBONATE FROM DIMETHYL CARBONATE/METHANOL MIXTURES Huntsman Petrochemical LLC (US) 2013-07-10 EP disclosed
US-20130165669-A1 Reactive Recovery of Dimethyl Carbonate from Dimethyl Carbonate/Methanol Mixtures HUNTSMAN PETROCHEMICAL LLC (US) 2013-06-27 US disclosed
WO-2012030554-A1 REACTIVE RECOVERY OF DIMETHYL CARBONATE FROM DIMETHYL CARBONATE/METHANOL MIXTURES HUNTSMAN PETROCHEMICAL LLC (US) 2012-03-08 WO disclosed
EP-1175387-B1 METHOD OF SEPARATING DIMETHYL CARBONATE AND METHANOL GEN ELECTRIC (US) 2006-03-29 EP disclosed
EP-1175387-A2 METHOD OF SEPARATING DIMETHYL CARBONATE AND METHANOL GENERAL ELECTRIC COMPANY (US) 2002-01-30 EP disclosed
US-6315868-B1 DISTILLING IN THE PRESENCE OF AN EXTRACTIVE DISTILLATION AGENT GENERAL ELECTRIC COMPANY 2001-11-13 US disclosed
WO-2000064853-A2 METHOD OF SEPARATING DIMETHYL CARBONATE AND METHANOL GENERAL ELECTRIC COMPANY (US) 2000-11-02 WO disclosed