⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13771151 | 0.81 | PAOX (0.52) | — | |
| SCHEMBL840359 | 0.79 | — | — | |
| SCHEMBL25059 | 0.78 | — | — | |
| SCHEMBL7377078 | 0.78 | — | — | |
| SCHEMBL15612715 | 0.77 | — | — | |
| SCHEMBL15611841 | 0.77 | — | — | |
| SCHEMBL8614908 | 0.77 | HDAC1 (0.50) | — | |
| SCHEMBL14091413 | 0.77 | LMNA (0.46) | — | |
| SCHEMBL15612083 | 0.77 | — | — | |
| SCHEMBL14503373 | 0.77 | 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-109912603-B | Practical method for synthesizing novel bioactive molecules by using N-methoxyamide as nitrogen source | 苏州大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-109912603-A | A kind of practical approach using N- methoxyamide as nitrogen source synthesizing new bioactive molecule | 苏州大学 | 2019-06-21 | — | — | CN | disclosed |