⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5551596 | 0.80 | — | — | |
| SCHEMBL12700522 | 0.68 | — | — | |
| Tert-Butyl Formate SCHEMBL28309890 | 0.67 | TDP1 (0.43) | — | |
| SCHEMBL27609527 | 0.67 | OPRM1 (0.30) | — | |
| SCHEMBL27933387 | 0.67 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28112822 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28014490 | 0.65 | DRD2 (0.31) | — | |
| SCHEMBL2223641 | 0.62 | — | — | |
| SCHEMBL13831491 | 0.61 | OPRM1 (0.33) | — | |
| SCHEMBL11771127 | 0.61 | — | — |
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-114773256-B | Synthesis method of 4-cyano piperidine | 中国农业大学 | 2024-05-03 | — | — | CN | claimed |