Bicarbonate

Bicarbonate

SCHEMBL5372441

CC(C)(C)C1CCCCC1.O.O=C(O)O.O=C(O)O

nearest known ligand 0.53

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
EPHX1 P07099 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.40
SSTR4 P31391 2/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
LIPA P38571 1/20 0.37
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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 SCHEMBL975284 1.00 EPHX1 (0.53) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Bicarbonate SCHEMBL1125852 0.98 EPHX1 (0.52) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Bicarbonate SCHEMBL6036898 0.97 EPHX1 (0.55) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Bicarbonate SCHEMBL8827972 0.97 EPHX1 (0.55) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Bicarbonate SCHEMBL5597464 0.97 EPHX1 (0.55) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Bicarbonate SCHEMBL28367894 0.97 EPHX1 (0.55) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Isobutane SCHEMBL28450845 0.91 EPHX1 (0.50) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Acetic Acid SCHEMBL4353702 0.90 EPHX1 (0.53) EPHX1SMN1; SMN2SSTR4GLAKDM4E
Bicarbonate SCHEMBL28626633 0.89 EPHX1 (0.48) EPHX1SMN1; SMN2SSTR4GLAKDM4E
SCHEMBL23174694 0.84 EPHX1 (0.48) EPHX1SMN1; SMN2SSTR4GLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220212420-A1 MULTI-COMPOUND FIBER REINFORCED COMPOSITES AND METHODS OF MAKING THE SAME USING FRONTAL POLYMERIZATION AND TARGETED PHOTOSENSITIZER ADDITIVES GM Global Technology Operations LLC (US) 2022-07-07 US claimed
US-20220212420-A1 MULTI-COMPOUND FIBER REINFORCED COMPOSITES AND METHODS OF MAKING THE SAME USING FRONTAL POLYMERIZATION AND TARGETED PHOTOSENSITIZER ADDITIVES GM Global Technology Operations LLC (US) 2022-07-07 US disclosed
US-10738146-B2 Process for frontal polymerization of cationically polymerizable monomers TECHNISCHE UNIVERSITAET WIEN (AT) 2020-08-11 US disclosed
US-20190309123-A1 PROCESS FOR FRONTAL POLYMERIZATION OF CATIONICALLY POLYMERIZABLE MONOMERS TECHNISCHE UNIVERSITAET WIEN (AT) 2019-10-10 US disclosed
CN-104870542-A Composite particles including a fluoropolymer, methods of making, and articles including the same 3M INNOVATIVE PROPERTIES CO 2015-08-26 CN disclosed
CN-101778918-B Pressure sensitive adhesive composition with improved initial tack 3M INNOVATIVE PROPERTIES CO 2013-03-27 CN disclosed
CN-101778918-A Pressure sensitive adhesive composition with improved initial tack 3M INNOVATIVE PROPERTIES CO 2010-07-14 CN disclosed
CN-101688090-A Colored acrylic resin adhesive and marking film 3M INNOVATIVE PROPERTIES CO 2010-03-31 CN disclosed
CN-100354346-C Microspheres AKZO NOBEL NV (NL) 2007-12-12 CN disclosed
US-7157526-B2 Aqueous primary dispersion, substantially or completely devoid of volatile organic substances, method for the production thereof and use of the same BASF COATINGS AG (DE) 2007-01-02 US disclosed
CN-1738853-A Microspheres AKZO NOBEL NV (NL) 2006-02-22 CN disclosed
US-20040048968-A1 Aqueous primary dispersion, substantially or completely devoid of volatile organic substances, method for the production thereof and use of the same BASF COATINGS AKTIENGESELLSCHAFT (DE) 2004-03-11 US disclosed
CN-1006711-B CURABLE COMPOSITION METHOD FOR MANUFACTURE THEREOF AND USES THEREOF NIPPON SHOKUPAI KAGAKU KOGYO C (JP) 1990-02-07 CN disclosed
CN-86105386-A Curable compositions and manufacture method thereof and application 1987-04-08 CN disclosed
CN-86104545-A Produce curable fluorinated elastomer and relevant resulting method for product 1987-02-04 CN disclosed