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 SCHEMBL9790007 | 1.00 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL29030776 | 0.95 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL9182760 | 0.95 | TSHR (0.50) | — | |
| Tert-Butanol SCHEMBL6194876 | 0.84 | ALDH1A1 (0.61) | — | |
| Tert-Butanol SCHEMBL1204871 | 0.84 | ALDH1A1 (0.61) | — | |
| Tert-Butanol SCHEMBL8169028 | 0.84 | — | — | |
| Bicarbonate SCHEMBL27718451 | 0.84 | — | — | |
| Bicarbonate SCHEMBL28154408 | 0.84 | — | — | |
| Bicarbonate SCHEMBL7259005 | 0.84 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL29243300 | 0.82 | CA1 (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5704216-A | POLYOL ESTER OIL | SANYO ELECTRIC CO., LTD. (JP) | 1998-01-06 | — | — | US | disclosed |
| US-5557944-A | USING A HYDROFLUOROCARBON SYSTEM REFRIGERANT WITH A POLYOL ESTER SYSTEM OIL | SANYO ELECTRIC CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |