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 SCHEMBL2100969 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28199968 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL8157399 | 0.89 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL8157397 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL3145453 | 0.89 | — | — | |
| Bicarbonate SCHEMBL29061402 | 0.84 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL25206526 | 0.82 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL35983 | 0.82 | — | — | |
| Bicarbonate SCHEMBL6130594 | 0.82 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL21815629 | 0.82 | CA4 (0.46) | — |
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-1921933-A1 | PROCESSING FOR MAKING FILTER TOW | Celanese Acetate Limited (GB) | 2008-05-21 | — | — | EP | disclosed |
| WO-2007026131-A1 | PROCESSING FOR MAKING FILTER TOW | CELANESE ACETATE LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |