⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4427353 | 0.93 | — | — | |
| SCHEMBL28274387 | 0.84 | CA1 (0.60) | — | |
| SCHEMBL27171 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL9000235 | 0.81 | — | — | |
| Water SCHEMBL28182528 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28143795 | 0.81 | — | — | |
| Alcohol SCHEMBL9646939 | 0.71 | — | — | |
| Dimethylamine SCHEMBL7938318 | 0.71 | — | — | |
| SCHEMBL22283870 | 0.71 | TSHR (0.50) | — | |
| Trimethylammonium SCHEMBL99807 | 0.71 | CA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8334132-B2 | Process for production of a betaine such as carnitine | MITSUBISHI RAYON CO., LTD. (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20090325246-A1 | PROCESS FOR PRODUCTION OF BETAINE | MITSUBISHI RAYON CO., LTD. (JP) | 2009-12-31 | — | — | US | disclosed |