Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Betaine. 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 | |
|---|---|---|---|---|
| Glycinebetaine SCHEMBL7739 | 1.00 | — | — | |
| Glycinebetaine SCHEMBL8678519 | 1.00 | TSHR (0.53) | — | |
| Glycinebetaine SCHEMBL2803780 | 1.00 | TSHR (0.53) | — | |
| Glycinebetaine SCHEMBL4900209 | 1.00 | — | — | |
| Glycinebetaine SCHEMBL11109389 | 0.97 | — | — | |
| Glycinebetaine SCHEMBL4255367 | 0.97 | — | — | |
| Glycinebetaine SCHEMBL8388807 | 0.97 | — | — | |
| Glycinebetaine SCHEMBL4457941 | 0.97 | TSHR (0.50) | — | |
| Glycinebetaine SCHEMBL20703289 | 0.97 | — | — | |
| Glycinebetaine SCHEMBL61181 | 0.97 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025047579-A1 | METHOD FOR ANALYZING DISTRIBUTION OF COMPONENT IN SKIN TOPICAL AGENT HAVING PERMEATED THROUGH SKIN AND METHOD FOR PREDICTING PERMEATION ROUTE OF COMPONENT OF SKIN TOPICAL AGENT PERMEATING INTO SKIN | 株式会社資生堂 | 2025-03-06 | — | — | WO | disclosed |