⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9776628 | 0.87 | — | — | |
| Urea SCHEMBL355336 | 0.82 | — | — | |
| Acetone SCHEMBL29138942 | 0.80 | LMNA (0.67) | — | |
| Acetone SCHEMBL8840751 | 0.80 | — | — | |
| Acetic Acid SCHEMBL7150792 | 0.76 | — | — | |
| Acetone SCHEMBL1683192 | 0.75 | — | — | |
| Methoxyamine SCHEMBL4933194 | 0.75 | — | — | |
| Methoxyamine SCHEMBL28484087 | 0.75 | — | — | |
| Acetone SCHEMBL27536413 | 0.75 | — | — | |
| Acetone SCHEMBL27433648 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112390722-A | Continuous flow process for amine alkylation reaction | 浙江瑞博制药有限公司 | 2021-02-23 | — | — | CN | claimed |