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 SCHEMBL28599323 | 0.95 | — | — | |
| Bicarbonate SCHEMBL2558186 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL27562247 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL27889751 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2420 | 0.94 | — | — | |
| Bicarbonate SCHEMBL1332437 | 0.94 | — | — | |
| Bicarbonate SCHEMBL25332008 | 0.89 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL16341497 | 0.89 | — | — | |
| Bicarbonate SCHEMBL9044672 | 0.89 | — | — | |
| Bicarbonate SCHEMBL9247678 | 0.89 | CA1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112979618-A | Indirubin derivative and preparation method and application thereof | 东南大学 | 2021-06-18 | — | — | CN | claimed |
| CN-112979618-A | Indirubin derivative and preparation method and application thereof | 东南大学 | 2021-06-18 | — | — | CN | disclosed |