Bicarbonate

Bicarbonate

SCHEMBL377470

CCOCCOCCOCC.O=C(O)O.O=C(O)O

nearest known ligand 0.59

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 3/20 0.59
THRB P10828 1/20 0.50
HSD17B10 Q99714 3/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
FFAR3 O14843 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 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
SOAT1 P35610 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 SCHEMBL30051784 1.00 ALDH1A1 (0.59) ALDH1A1TSHRTHRBHSD17B10BLM
Bicarbonate SCHEMBL11500913 0.97 ALDH1A1 (0.62) ALDH1A1TSHRTHRBHSD17B10BLM
Bicarbonate SCHEMBL376795 0.97 ALDH1A1 (0.62) ALDH1A1TSHRTHRBHSD17B10BLM
Acetic Acid SCHEMBL950771 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTHRBHSD17B10BLM
Acetic Acid SCHEMBL11973815 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTHRBHSD17B10BLM
Acetic Acid SCHEMBL5086365 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTHRBHSD17B10BLM
Bicarbonate SCHEMBL3389077 0.89 TSHR (0.50) ALDH1A1TSHRTHRBHSD17B10BLM
Propionic Acid SCHEMBL16738310 0.88 FFAR3 (0.56) ALDH1A1TSHRTHRBHSD17B10BLM
Bicarbonate SCHEMBL6272395 0.88 ALDH1A1 (0.54) ALDH1A1TSHRTHRBHSD17B10FFAR3
Acetic Acid SCHEMBL1356765 0.88 ALDH1A1 (0.61) ALDH1A1TSHRTHRBHSD17B10BLM

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739169-B1 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INST TECHNOLOGY (US) 2019-06-12 EP claimed
EP-1062259-B1 BIODEGRADABLE POLYMERS BASED ON NATURAL AND RENEWABLE RAW MATERIALS, ESPECIALLY ISOSORBITE CELANESE VENTURES GMBH (DE) 2003-10-15 EP claimed
EP-1062259-A1 BIODEGRADABLE POLYMERS BASED ON NATURAL AND RENEWABLE RAW MATERIALS, ESPECIALLY ISOSORBITE Axiva GmbH (DE) 2000-12-27 EP claimed
WO-1999045054-A1 BIODEGRADABLE POLYMERS BASED ON NATURAL AND RENEWABLE RAW MATERIALS, ESPECIALLY ISOSORBITE AXIVA GMBH (DE) 1999-09-10 WO claimed
EP-1687462-B1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2019-03-13 EP disclosed
EP-2798013-B1 ANTI-REFLECTIVE COATING LEIBNIZ INST FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2016-08-17 EP disclosed
EP-2168971-B1 Fluid absorption by metal-organic frameworks BASF SE (DE) 2016-08-03 EP disclosed
EP-2230288-B1 METAL-ORGANIC FRAMEWORKS IN REFRIGERATION/HEATING MACHINES BASF SE (DE) 2016-05-25 EP disclosed
EP-2798013-A1 ANTI-REFLECTIVE COATING Leibniz-Institut für Neue Materialien gemeinnützige GmbH (DE) 2014-11-05 EP disclosed
EP-2408536-B1 PROCESS FOR SEPARATING ACID GASES USING AMINE IMPREGNATED METAL ORGANIC FRAMEWORKS BASF SE (DE) 2014-07-30 EP disclosed
EP-2117676-B1 METHOD FOR SEPARATING GASES USING A POROUS METAL ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2014-06-25 EP disclosed
EP-2408684-B1 BIOLOGICALLY DEGRADABLE MATERIAL BASED ON A POLYMERIC MATERIAL CONTAINING POROUS ORGANOMETALLIC NETWORKS BASF SE (DE) 2013-08-21 EP disclosed
EP-1687462-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-08-09 EP disclosed
WO-2006072573-A2 ADSORPTIVE PRODUCTION OF XENON FROM KRYPTON/XENON GAS MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-13 WO disclosed
EP-1674555-A1 Concentration of methane in methane containing gas mixtures by adsorption BASF AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
WO-2005049892-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
WO-2005049484-A1 METHOD FOR THE CONTROLLED STORAGE AND RELEASE OF GASES USING AN ELECTROCHEMICALLY PRODUCED CRYSTALLINE, POROUS, ORGANOMETALLIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
EP-1062259-B1 BIODEGRADABLE POLYMERS BASED ON NATURAL AND RENEWABLE RAW MATERIALS, ESPECIALLY ISOSORBITE CELANESE VENTURES GMBH (DE) 2003-10-15 EP disclosed
EP-1062259-A1 BIODEGRADABLE POLYMERS BASED ON NATURAL AND RENEWABLE RAW MATERIALS, ESPECIALLY ISOSORBITE Axiva GmbH (DE) 2000-12-27 EP disclosed
WO-1999045054-A1 BIODEGRADABLE POLYMERS BASED ON NATURAL AND RENEWABLE RAW MATERIALS, ESPECIALLY ISOSORBITE AXIVA GMBH (DE) 1999-09-10 WO disclosed