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 SCHEMBL47913 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL15310 | 0.92 | — | — | |
| Bicarbonate SCHEMBL21612732 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL226943 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL29150348 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL28169410 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL325796 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL20954184 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL28734227 | 0.92 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL7094615 | 0.88 | LMNA (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691438-A | CROSSLINKING AGENT; ONE PACKAGE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-11-25 | — | — | US | disclosed |
| US-5112931-A | Blocked polyisocyanates for the production of powder coatings with flat finishes | MILES INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5091475-A | Curable composition of a blocked polyisocyanate compound containing-CO-NH-NH-CO-groups and a polyhydroxy polyacrylate; protective coatings | MOBAY CORPORATION (US) | 1992-02-25 | — | — | US | disclosed |
| EP-0408997-A1 | Coating compositions, coatings with flat finishes produced therefrom and blocked polyisocyanates | MILES INC. (US) | 1991-01-23 | — | — | EP | disclosed |