⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2901854 | 0.94 | ALDH1A1 (0.43) | — | |
| SCHEMBL8771756 | 0.84 | — | — | |
| SCHEMBL1691833 | 0.80 | — | — | |
| SCHEMBL3647069 | 0.78 | — | — | |
| SCHEMBL10579593 | 0.78 | — | — | |
| SCHEMBL6165925 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL27489067 | 0.75 | HDAC4 (0.47) | — | |
| SCHEMBL971269 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL13374714 | 0.74 | HPGD (0.47) | — | |
| SCHEMBL1691608 | 0.74 | ALDH1A1 (0.43) | — |
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-116375549-A | Method and system for synthesizing amide compound from nitrile compound | 深圳湾实验室 | 2023-07-04 | — | — | CN | claimed |
| CN-116375549-A | Method and system for synthesizing amide compound from nitrile compound | 深圳湾实验室 | 2023-07-04 | — | — | CN | disclosed |