⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL320165 | 0.97 | — | — | |
| Imidazole SCHEMBL7055706 | 0.97 | — | — | |
| Imidazole SCHEMBL9250716 | 0.97 | ALDH1A1 (0.93) | — | |
| Imidazole SCHEMBL31619367 | 0.93 | — | — | |
| Imidazole SCHEMBL28411366 | 0.93 | — | — | |
| Imidazole SCHEMBL28760686 | 0.93 | — | — | |
| Imidazole SCHEMBL2635292 | 0.93 | — | — | |
| Imidazole SCHEMBL1331920 | 0.93 | — | — | |
| Imidazole SCHEMBL2684565 | 0.93 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL1331382 | 0.93 | — | — |
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-114664569-B | Boron doped cobalt-nickel flexible electrode material and preparation method thereof | 陕西科技大学 | 2023-09-19 | — | — | CN | disclosed |