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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27755706 | 0.87 | HDAC1 (0.38) | — | |
| Bicarbonate SCHEMBL27814724 | 0.85 | TSHR (0.38) | — | |
| Bicarbonate SCHEMBL28095405 | 0.84 | — | — | |
| Bicarbonate SCHEMBL1978954 | 0.83 | AKR1B1 (0.46) | — | |
| Bicarbonate SCHEMBL3727931 | 0.83 | AKR1B1 (0.46) | — | |
| Butane SCHEMBL1716773 | 0.79 | — | — | |
| Bicarbonate SCHEMBL6704540 | 0.79 | — | — | |
| Butane SCHEMBL40275 | 0.79 | FFAR3 (0.54) | — | |
| Butane SCHEMBL1165212 | 0.79 | FFAR3 (0.54) | — | |
| Butane SCHEMBL28896048 | 0.79 | FFAR3 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115152056-A | Positive electrode material and battery | 松下知识产权经营株式会社 | 2022-10-04 | — | — | CN | disclosed |
| CN-114600292-A | Battery with a battery cell | 松下知识产权经营株式会社 | 2022-06-07 | — | — | CN | disclosed |
| CN-105895905-B | Battery positive electrode material and lithium ion battery | 松下知识产权经营株式会社 | 2021-06-22 | — | — | CN | disclosed |