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 SCHEMBL6150818 | 0.95 | — | — | |
| Bicarbonate SCHEMBL83 | 0.94 | — | — | |
| Bicarbonate SCHEMBL1332636 | 0.94 | — | — | |
| Bicarbonate SCHEMBL9638573 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL15321596 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL10646323 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL222994 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL5403678 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL1332486 | 0.94 | — | — | |
| Bicarbonate SCHEMBL1929377 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5334644-A | Aqueous additive systems, methods and polymeric particles | EASTMAN CHEMICAL COMPANY (US) | 1994-08-02 | — | — | US | claimed |
| US-5162585-A | Preparation of dihydroxy bis-sulfides | PHILLIPS PETROLEUM COMPANY (US) | 1992-11-10 | — | — | US | claimed |