⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30119861 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4354108 | 0.97 | — | — | |
| SCHEMBL7055782 | 0.97 | — | — | |
| SCHEMBL716553 | 0.97 | TDP1 (0.47) | — | |
| SCHEMBL21778 | 0.97 | — | — | |
| SCHEMBL688403 | 0.93 | — | — | |
| SCHEMBL377745 | 0.93 | — | — | |
| SCHEMBL22115438 | 0.93 | — | — | |
| Water SCHEMBL21357760 | 0.93 | — | — | |
| SCHEMBL8148267 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116262704-B | Method for preparing N, N-dimethylglycine and co-producing metal chelate thereof | 万华化学集团股份有限公司 | 2024-11-12 | — | — | CN | disclosed |
| CN-116262704-A | Method for preparing N, N-dimethylglycine and co-producing metal chelate thereof | 万华化学集团股份有限公司 | 2023-06-16 | — | — | CN | disclosed |