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 | |
|---|---|---|---|---|
| Betaine SCHEMBL134333 | 0.97 | — | — | |
| Betaine SCHEMBL399905 | 0.97 | TSHR (1.00) | — | |
| Betaine SCHEMBL1318276 | 0.93 | — | — | |
| Betaine SCHEMBL2358556 | 0.93 | TSHR (0.93) | — | |
| Betaine SCHEMBL59207 | 0.93 | — | — | |
| Betaine SCHEMBL1312998 | 0.93 | — | — | |
| Betaine SCHEMBL912129 | 0.93 | — | — | |
| Betaine SCHEMBL3234684 | 0.93 | — | — | |
| Betaine SCHEMBL16046840 | 0.93 | — | — | |
| Betaine SCHEMBL2021375 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5236950-A | Phytol and isophytol derivatives | TOYAMA CHEMICAL CO., LTD. (JP) | 1993-08-17 | — | — | US | disclosed |