⚠ 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 | |
|---|---|---|---|---|
| 2-Chloropyridine SCHEMBL27450572 | 0.92 | — | — | |
| 2-Chloropyridine SCHEMBL9366854 | 0.92 | — | — | |
| 2-Chloropyridine SCHEMBL11389784 | 0.92 | — | — | |
| 2-Chloropyridine SCHEMBL28283275 | 0.92 | TDP1 (1.00) | — | |
| 2-Chloropyridine SCHEMBL16637 | 0.92 | — | — | |
| 2-Chloropyridine SCHEMBL10690176 | 0.92 | TDP1 (1.00) | — | |
| 2-Chloropyridine SCHEMBL29402311 | 0.92 | — | — | |
| 2-Chloropyridine SCHEMBL135135 | 0.90 | — | — | |
| 2-Chloropyridine SCHEMBL1935752 | 0.89 | — | — | |
| 2-Chloropyridine SCHEMBL8545796 | 0.89 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896712-B | Diamide compound containing cyclic amino acid | 华东理工大学 | 2024-04-09 | — | — | CN | disclosed |