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 SCHEMBL1908229 | 1.00 | CA1 (0.55) | — | |
| Bicarbonate SCHEMBL5332176 | 1.00 | CA1 (0.55) | — | |
| Oxalic Acid SCHEMBL6254640 | 0.84 | CA1 (0.46) | — | |
| Acetic Acid SCHEMBL18063116 | 0.84 | — | — | |
| Carbamic Acid SCHEMBL5990476 | 0.84 | — | — | |
| Acetic Acid SCHEMBL10828286 | 0.81 | FFAR3 (0.50) | — | |
| Carbamic Acid SCHEMBL16013541 | 0.81 | ACHE (0.50) | — | |
| Bicarbonate SCHEMBL8020328 | 0.80 | — | — | |
| Bicarbonate SCHEMBL28201863 | 0.80 | — | — | |
| SCHEMBL6526159 | 0.78 | CA1 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731838-B1 | BINDING STRUCTURES DIRECTED AGAINST THE CA55.1 ANTIGEN | ASTRAZENECA AB (SE) | 2004-02-18 | — | — | EP | disclosed |
| US-20030138791-A1 | 3-Spiro-cyanin fluorochromes and their use in bioassays | HAALCK LUTZ (DE) | 2003-07-24 | — | — | US | disclosed |
| JP-2000086639-A | SYNTHESIS OF CYTOXAZONE | INST OF PHYSICAL & CHEMICAL RES | 2000-03-28 | — | — | JP | disclosed |
| US-5665357-A | CANCER THERAPY | ZENECA LIMITED (GB) | 1997-09-09 | — | — | US | disclosed |
| EP-0731838-A1 | BINDING STRUCTURES DIRECTED AGAINST THE CA55.1 ANTIGEN | ZENECA LIMITED (GB) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015382-A1 | BINDING STRUCTURES DIRECTED AGAINST THE CA55.1 ANTIGEN | ZENECA LIMITED (GB) | 1995-06-08 | — | — | WO | disclosed |
| US-4234578-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1980-11-18 | — | — | US | disclosed |