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 SCHEMBL2132949 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL1829957 | 0.94 | — | — | |
| Bicarbonate SCHEMBL18989584 | 0.89 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL1004788 | 0.89 | — | — | |
| Bicarbonate SCHEMBL14562617 | 0.89 | CA4 (0.70) | — | |
| Bicarbonate SCHEMBL30589 | 0.89 | — | — | |
| Bicarbonate SCHEMBL14562695 | 0.89 | — | — | |
| Bicarbonate SCHEMBL8503801 | 0.89 | — | — | |
| Bicarbonate SCHEMBL1004789 | 0.89 | — | — | |
| Bicarbonate SCHEMBL14578981 | 0.89 | CA4 (0.55) | — |
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-104109150-B | COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE | 日本曹达株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-104072408-B | Compound containing pyridine ring and halogenated methyl pyridine derivate and the manufacture method of tetrazole radical 9 oxime derivate | 日本曹达株式会社 | 2016-09-14 | — | — | CN | disclosed |