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 SCHEMBL28437232 | 0.58 | — | — | |
| Benzene SCHEMBL2676112 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL10964916 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL3284185 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL725167 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL10961254 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL5081287 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL1122633 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL377044 | 0.52 | CA1 (0.71) | — | |
| Benzene SCHEMBL2416723 | 0.52 | CA1 (0.71) | — |
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-1529037-B1 | SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | GENZYME CORP (US) | 2009-07-15 | — | — | EP | claimed |
| EP-1302467-A2 | Process for the preparation of substituted thiazoline derivatives and their intermediate | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-04-16 | — | — | EP | claimed |
| EP-0591489-A1 | SUBSTITUTED THIAZOLINE-DIOXETANE-SUBSTRATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE | BOEHRINGER MANNHEIM GMBH (DE) | 1994-04-13 | — | — | EP | claimed |
| WO-1993020083-A1 | SUBSTITUTED THIAZOLINE-DIOXETANE-SUBSTRATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE | BOEHRINGER MANNHEIM GMBH (DE) | 1993-10-14 | — | — | WO | claimed |
| EP-1302467-A2 | Process for the preparation of substituted thiazoline derivatives and their intermediate | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-04-16 | — | — | EP | disclosed |
| EP-0591489-A1 | SUBSTITUTED THIAZOLINE-DIOXETANE-SUBSTRATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE | BOEHRINGER MANNHEIM GMBH (DE) | 1994-04-13 | — | — | EP | disclosed |
| WO-1993020083-A1 | SUBSTITUTED THIAZOLINE-DIOXETANE-SUBSTRATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE | BOEHRINGER MANNHEIM GMBH (DE) | 1993-10-14 | — | — | WO | disclosed |