⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20703264 | 0.97 | — | — | |
| SCHEMBL29280125 | 0.84 | — | — | |
| SCHEMBL27685715 | 0.79 | — | — | |
| SCHEMBL28225554 | 0.75 | — | — | |
| SCHEMBL9984080 | 0.75 | — | — | |
| SCHEMBL1275382 | 0.71 | MAOA (0.31) | — | |
| SCHEMBL11331090 | 0.71 | MAOA (0.31) | — | |
| SCHEMBL11569700 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL1496175 | 0.70 | — | — | |
| SCHEMBL5011834 | 0.70 | — | — |
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-116759587-A | Preparation method and application of high-yield hierarchical porous carbon-supported nitrogen coordination iron single-atom oxygen reduction catalyst | 中国石油大学(华东) | 2023-09-15 | — | — | CN | disclosed |