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 | |
|---|---|---|---|---|
| SCHEMBL429457 | 0.79 | TSHR (0.42) | — | |
| Glycinebetaine SCHEMBL2520108 | 0.72 | LMNA (0.46) | — | |
| Glycinebetaine SCHEMBL604825 | 0.72 | TSHR (0.52) | — | |
| Glycinebetaine SCHEMBL7753166 | 0.70 | TSHR (0.46) | — | |
| Glycinebetaine SCHEMBL3095441 | 0.70 | TSHR (0.50) | — | |
| Glycinebetaine SCHEMBL1617824 | 0.68 | TSHR (0.42) | — | |
| Glycinebetaine SCHEMBL10425194 | 0.67 | TSHR (0.48) | — | |
| Glycinebetaine SCHEMBL11008697 | 0.67 | CPT2 (0.33) | — | |
| Glycinebetaine SCHEMBL7147184 | 0.66 | TSHR (0.46) | — | |
| Glycinebetaine SCHEMBL1846390 | 0.66 | SLC22A16 (0.50) | — |
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-7872083-B2 | Polymer and cosmetic preparation | SHISEIDO CO., LTD. (JP) | 2011-01-18 | — | — | US | disclosed |
| EP-1894948-B1 | POLYMER AND COSMETIC PREPARATION | SHISEIDO CO LTD (JP) | 2010-09-29 | — | — | EP | disclosed |
| US-20090123408-A1 | Polymer And Cosmetic Preparation | SHISEIDO CO., LTD. (JP) | 2009-05-14 | — | — | US | disclosed |
| EP-1894948-A1 | POLYMER AND COSMETIC PREPARATION | Shiseido Co., Ltd. (JP) | 2008-03-05 | — | — | EP | disclosed |