Bicarbonate

Bicarbonate

SCHEMBL2704202

C=CC[N+](C)(C)CC=C.O=C([O-])O

nearest known ligand 0.59

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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 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.59
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ACHE P22303 5/20 0.34
BCHE P06276 2/20 0.34
TSHR P16473 2/20 0.32
BLM P54132 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30

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 SCHEMBL2836768 0.98 BBOX1 (0.57) BBOX1KMT2AATMALDH1A1ACHE
Bicarbonate SCHEMBL5911592 0.93 BBOX1 (0.57) BBOX1KMT2AATMALDH1A1ACHE
Bicarbonate SCHEMBL2512299 0.92 BBOX1 (0.61) BBOX1KMT2AATMALDH1A1ACHE
Acetic Acid SCHEMBL1056731 0.90 BBOX1 (0.59) BBOX1KMT2AATMALDH1A1ACHE
Bicarbonate SCHEMBL2704201 0.90 BBOX1 (0.52) BBOX1KMT2AATMALDH1A1ACHE
Acrylic Acid SCHEMBL2526435 0.88 BBOX1 (0.57) BBOX1KMT2AATMALDH1A1ACHE
Succinic Acid SCHEMBL28710003 0.86 BBOX1 (0.71) BBOX1KMT2AATMACHEBCHE
Acrylic Acid SCHEMBL11323113 0.86 BBOX1 (0.55) BBOX1KMT2AATMALDH1A1ACHE
Bicarbonate SCHEMBL28034606 0.86 BBOX1 (0.55) BBOX1KMT2AATMALDH1A1ACHE
Acrylic Acid SCHEMBL578283 0.86 BBOX1 (0.55) BBOX1KMT2AATMALDH1A1ACHE

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
US-20120107415-A1 COMBINED DISINFECTION AND DECONTAMINATION AGENT HAVING INCREASED EFFECTIVENESS MULTIBIND BIOTEC GMBH (DE) 2012-05-03 US claimed
US-6436878-B1 COPOLYMER OF ACRYLIC ACID, 2-HYDROXYPROPYL ACRYLATE, N-(4-SULFOPHENYL)-MALEIMIDE, ALLYLTRIMETHYLAMMONIUM CHLORIDE AND APHOSPHOROUS ACID Wang, Bin (CN) 2002-08-20 US claimed
EP-2540686-B1 Fiber for fiber cement and resulting product WEYERHAEUSER NR CO (US) 2016-11-30 EP disclosed
US-8999399-B2 Combined disinfection and decontamination agent having increased effectiveness Bose Chemie GmbH (DE) 2015-04-07 US disclosed
US-8461233-B2 Fiber for fiber cement and resulting product WEYERHAEUSER NR COMPANY (US) 2013-06-11 US disclosed
US-20130005859-A1 Fiber for Fiber Cement and Resulting Product WEYERHAEUSER NR COMPANY (US) 2013-01-03 US disclosed
EP-2540686-A1 Fiber for fiber cement and resulting product Weyerhaeuser Company (US) 2013-01-02 EP disclosed
US-20120107415-A1 COMBINED DISINFECTION AND DECONTAMINATION AGENT HAVING INCREASED EFFECTIVENESS MULTIBIND BIOTEC GMBH (DE) 2012-05-03 US disclosed
WO-2008035101-A2 DISINFECTANT EMULSIONS CONTAINING AN ANTIMICROBIAL COMPOUND IN EACH PHASE MAINSANI AS (NO) 2008-03-27 WO disclosed
US-6436878-B1 COPOLYMER OF ACRYLIC ACID, 2-HYDROXYPROPYL ACRYLATE, N-(4-SULFOPHENYL)-MALEIMIDE, ALLYLTRIMETHYLAMMONIUM CHLORIDE AND APHOSPHOROUS ACID Wang, Bin (CN) 2002-08-20 US disclosed