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 | |
|---|---|---|---|---|
| SCHEMBL744087 | 0.98 | — | — | |
| SCHEMBL6902689 | 0.80 | — | — | |
| SCHEMBL38662615 | 0.78 | — | — | |
| SCHEMBL23648250 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL101600 | 0.77 | POLB (0.31) | — | |
| SCHEMBL2305065 | 0.75 | — | — | |
| SCHEMBL1648363 | 0.75 | — | — | |
| SCHEMBL39164 | 0.75 | POLB (0.30) | — | |
| SCHEMBL1198132 | 0.75 | POLB (0.30) | — | |
| SCHEMBL7569651 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |