Bicarbonate

Bicarbonate

SCHEMBL9750468

COC(C)(C)OO.O=C(O)O.O=C(O)O

nearest known ligand 0.37

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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 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 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
Bicarbonate SCHEMBL158037 1.00 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL372797 0.87
Bicarbonate SCHEMBL5670338 0.74 ALDH1A1 (0.30) ALDH1A1
Bicarbonate SCHEMBL9309533 0.74 ALDH1A1 (0.30) ALDH1A1
Tert-Butyl Hydroperoxide SCHEMBL2671237 0.74 ALDH1A1 (0.69) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL27609021 0.74 ALDH1A1 (0.69) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL538709 0.74 ALDH1A1 (0.69) ALDH1A1TSHR
Bicarbonate SCHEMBL28022645 0.74 ALDH1A1 (0.61) ALDH1A1TSHR
Acetone SCHEMBL4847604 0.71 LMNA (0.43) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL28376532 0.71 ALDH1A1 (0.64) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162190-A Polyolefin, resin composition and molded article 旭化成株式会社 2023-05-26 CN disclosed
CN-116162300-A Ethylene resin composition and molded article 旭化成株式会社 2023-05-26 CN disclosed
CN-116162299-A Ethylene resin composition and molded article 旭化成株式会社 2023-05-26 CN disclosed
EP-0408763-A1 OPTICAL DISK AND METHOD OF MANUFACTURING THE SAME SEIKO EPSON CORPORATION (JP) 1991-01-23 EP disclosed
EP-0406432-A1 PROCESS FOR PRODUCING PARTICULATE POLYMER MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-01-09 EP disclosed