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 | |
|---|---|---|---|---|
| SCHEMBL6919605 | 0.89 | — | — | |
| SCHEMBL5512966 | 0.78 | NR4A1 (0.33) | — | |
| SCHEMBL5518600 | 0.78 | NR4A1 (0.33) | — | |
| SCHEMBL7090625 | 0.75 | TP53 (0.31) | — | |
| SCHEMBL6987575 | 0.75 | TP53 (0.31) | — | |
| SCHEMBL19906346 | 0.70 | — | — | |
| SCHEMBL21445252 | 0.70 | — | — | |
| Trifluoroacetic Acid SCHEMBL27623283 | 0.67 | TP53 (0.42) | — | |
| Bicarbonate SCHEMBL28149670 | 0.67 | CA2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3140803 | 0.64 | TP53 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1301483-A1 | 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002006233-A1 | 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | WO | disclosed |