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 SCHEMBL19712751 | 0.97 | — | — | |
| Bicarbonate SCHEMBL28150501 | 0.78 | CA4 (0.33) | — | |
| SCHEMBL847 | 0.78 | — | — | |
| Bicarbonate SCHEMBL28207951 | 0.76 | — | — | |
| Acetamide SCHEMBL27786141 | 0.75 | — | — | |
| SCHEMBL1532773 | 0.73 | — | — | |
| SCHEMBL9409712 | 0.73 | — | — | |
| Bromide SCHEMBL7903855 | 0.73 | — | — | |
| Bicarbonate SCHEMBL14991760 | 0.72 | ALDH1A1 (0.69) | — | |
| Bicarbonate SCHEMBL27880392 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795147-A | Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use | 美国安进公司 | 2017-05-31 | — | — | CN | disclosed |