⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2817476 | 0.86 | — | — | |
| Formic Acid SCHEMBL31006879 | 0.79 | — | — | |
| Dimethylamine SCHEMBL28037809 | 0.76 | — | — | |
| Dimethylamine SCHEMBL7858094 | 0.73 | — | — | |
| Dimethylamine SCHEMBL5420541 | 0.71 | — | — | |
| SCHEMBL9638971 | 0.67 | — | — | |
| Dimethylamine SCHEMBL1925156 | 0.65 | — | — | |
| Dimethylamine SCHEMBL28552842 | 0.64 | — | — | |
| SCHEMBL32678 | 0.62 | — | — | |
| SCHEMBL1200848 | 0.62 | ALDH1A1 (0.50) | — |
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-104529904-B | The preparation method of Bo Maxini | 苏州明锐医药科技有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-104529904-B | The preparation method of Bo Maxini | 苏州明锐医药科技有限公司 | 2016-08-31 | — | — | CN | disclosed |