Known targets — ChEMBL curated mechanism
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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6441900 | 0.86 | GABRA1 (0.30) | — | |
| SCHEMBL12095053 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL701889 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL6439504 | 0.73 | — | — | |
| SCHEMBL798980 | 0.72 | TSHR (0.42) | — | |
| Bicarbonate SCHEMBL698070 | 0.72 | — | — | |
| SCHEMBL2299305 | 0.71 | ALDH1A1 (0.33) | — | |
| Bicarbonate SCHEMBL29074334 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL29043273 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL2038200 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0823744-B1 | Ionically conductive polymeric gel electrolyte and solid battery containing the same | MITSUI CHEMICALS INC (JP) | 2005-10-12 | — | — | EP | disclosed |
| US-5925283-A | HIGH IONIC CONDUCTIVITY AND HIGH SOLID STRENGTH; CROSSLINKED POLYMER MATRIX, ELECTROLYTIC SALT, AND A NONAQUEOUS ELECTROLYTIC SOLUTION WHICH CONTAINS AT LEAST ONE HALOGEN-SUBSTITUTED CARBONIC ESTER | MITSUI CHEMICALS, INC. (JP) | 1999-07-20 | — | — | US | disclosed |
| EP-0823744-A2 | Ionically conductive polymeric gel electrolyte and solid battery containing the same | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |