Bicarbonate

Bicarbonate

SCHEMBL21753664

CCCOC(=O)c1ccccc1O.O=C(O)O

nearest known ligand 0.73

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
TDP1 Q9NUW8 5/20 0.69
LMNA P02545 4/20 0.61
TSHR P16473 8/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
CYP3A4 P08684 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR1 P03372 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50

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 SCHEMBL30206837 1.00 ALDH1A1 (0.73) ALDH1A1TDP1LMNATSHRL3MBTL1
Benzene SCHEMBL28044051 1.00 ALDH1A1 (0.73) ALDH1A1TDP1LMNATSHRL3MBTL1
SCHEMBL31490936 0.96 ALDH1A1 (0.79) ALDH1A1TDP1LMNATSHRL3MBTL1
SCHEMBL39575 0.96 ALDH1A1 (0.79) ALDH1A1TDP1LMNATSHRL3MBTL1
SCHEMBL27856813 0.95 ALDH1A1 (0.76) ALDH1A1TDP1LMNATSHRL3MBTL1
SCHEMBL416812 0.95 ALDH1A1 (0.76) ALDH1A1TDP1LMNATSHRL3MBTL1
Salicylic Acid SCHEMBL27810342 0.93 ALDH1A1 (0.69) ALDH1A1TDP1LMNATSHRL3MBTL1
Alcohol SCHEMBL28094806 0.93 ALDH1A1 (0.73) ALDH1A1TDP1LMNATSHRL3MBTL1
Ethyl Salicylate SCHEMBL27816869 0.92 ALDH1A1 (0.71) ALDH1A1TDP1LMNATSHRL3MBTL1
Methyl Salicylate SCHEMBL9229811 0.90 TSHR (0.71) ALDH1A1TDP1LMNATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880474-A1 PLASTIC FILMS HAVING HIGH OPACITY AND LOW TRANSPARENCY FOR ID DOCUMENTS HAVING A TRANSPARENT WINDOW Covestro Intellectual Property GmbH & Co. KG (DE) 2021-09-22 EP disclosed
EP-3840958-A1 IMPROVED METHOD FOR THE PARTIAL COLORING OF PLASTIC PARTS Covestro Intellectual Property GmbH & Co. KG (DE) 2021-06-30 EP disclosed
EP-3623148-A1 METHOD FOR THE PRODUCTION OF A LAMINATE COMPRISING ELECTRONIC COMPONENTS AND/OR FUNCTIONAL UNITS Covestro Deutschland AG (DE) 2020-03-18 EP disclosed
WO-2020039018-A1 IMPROVED METHOD FOR THE PARTIAL COLORING OF PLASTIC PARTS COVESTRO DEUTSCHLAND AG (DE) 2020-02-27 WO disclosed
CN-101857546-B Method for producing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2015-10-07 CN disclosed
CN-101857546-A Method for producing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG 2010-10-13 CN disclosed