Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Glycinebetaine. 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 | |
|---|---|---|---|---|
| SCHEMBL21048548 | 0.81 | APP (0.37) | — | |
| Glycinebetaine SCHEMBL3971357 | 0.81 | EPHX2 (0.43) | — | |
| Glycinebetaine SCHEMBL5491265 | 0.80 | TSHR (0.35) | — | |
| Glycinebetaine SCHEMBL5141166 | 0.79 | — | — | |
| Betaine SCHEMBL514681 | 0.77 | TSHR (0.35) | — | |
| Glycinebetaine SCHEMBL5674150 | 0.75 | — | — | |
| SCHEMBL7722290 | 0.75 | BBOX1 (0.32) | — | |
| Betaine SCHEMBL3946024 | 0.74 | TSHR (0.35) | — | |
| Glycinebetaine SCHEMBL21522546 | 0.74 | CA12 (0.41) | — | |
| Water SCHEMBL170463 | 0.73 | BBOX1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1371679-B1 | Aqueous composition containing polymeric nanoparticles | ROHM & HAAS (US) | 2008-04-09 | — | — | EP | disclosed |
| EP-1371679-A1 | Aqueous composition containing polymeric nanoparticles | ROHM AND HAAS COMPANY (US) | 2003-12-17 | — | — | EP | disclosed |
| EP-1371694-A2 | Polymeric nanoparticle formulations and their use for improving the dirt pick up resistance of a coating | ROHM AND HAAS COMPANY (US) | 2003-12-17 | — | — | EP | disclosed |