⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL31557359 | 0.80 | — | — | |
| SCHEMBL3361729 | 0.72 | FDPS (0.32) | — | |
| SCHEMBL28858846 | 0.72 | CA1 (0.36) | — | |
| SCHEMBL28643625 | 0.70 | FDPS (0.30) | — | |
| SCHEMBL29057342 | 0.68 | — | — | |
| SCHEMBL28435210 | 0.68 | CA1 (0.33) | — | |
| SCHEMBL27541430 | 0.68 | CA2 (0.32) | — | |
| SCHEMBL28517376 | 0.67 | CA2 (0.35) | — | |
| SCHEMBL29279655 | 0.67 | — | — | |
| SCHEMBL9766897 | 0.66 | — | — |
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-113896647-A | Synthesis method of tertiary amide | 兰州大学 | 2022-01-07 | — | — | CN | claimed |
| CN-113896647-A | Synthesis method of tertiary amide | 兰州大学 | 2022-01-07 | — | — | CN | disclosed |