⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28680240 | 0.89 | HDAC6 (0.65) | — | |
| SCHEMBL28680238 | 0.89 | — | — | |
| SCHEMBL28681615 | 0.88 | — | — | |
| SCHEMBL28665661 | 0.88 | — | — | |
| SCHEMBL28675151 | 0.88 | — | — | |
| SCHEMBL28688118 | 0.86 | — | — | |
| SCHEMBL28689650 | 0.85 | — | — | |
| SCHEMBL28669528 | 0.85 | — | — | |
| SCHEMBL6338023 | 0.84 | — | — | |
| SCHEMBL28675157 | 0.84 | PTGDR2 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113845522-A | Aminopeptidase N inhibitor and preparation method and application thereof | 山东省药学科学院 | 2021-12-28 | — | — | CN | claimed |
| CN-113845522-B | Aminopeptidase N inhibitor and preparation method and application thereof | 山东省药学科学院 | 2024-05-14 | — | — | CN | disclosed |
| CN-113845522-A | Aminopeptidase N inhibitor and preparation method and application thereof | 山东省药学科学院 | 2021-12-28 | — | — | CN | disclosed |