⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27565622 | 0.87 | LOX (1.00) | — | |
| SCHEMBL339 | 0.87 | — | — | |
| Ethylenediamine SCHEMBL28099544 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2719729 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL28186143 | 0.80 | — | — | |
| Benzene SCHEMBL8508613 | 0.78 | LOX (0.80) | — | |
| Bicarbonate SCHEMBL909963 | 0.73 | — | — | |
| Bicarbonate SCHEMBL28678945 | 0.73 | KMT2A (0.73) | — | |
| SCHEMBL5146991 | 0.72 | — | — | |
| SCHEMBL181389 | 0.72 | — | — |
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-116987004-B | Synthesis method of 3- (3, 4-dimethoxy phenyl) -2-amino-2-methylpropanenitrile | 新华制药（寿光）有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-116987004-A | Synthesis method of 3- (3, 4-dimethoxy phenyl) -2-amino-2-methylpropanenitrile | 新华制药（寿光）有限公司 | 2023-11-03 | — | — | CN | disclosed |