⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28285994 | 0.85 | — | — | |
| SCHEMBL2136633 | 0.78 | — | — | |
| SCHEMBL951243 | 0.70 | ANPEP (0.33) | — | |
| SCHEMBL10717126 | 0.62 | — | — | |
| SCHEMBL3316698 | 0.60 | — | — | |
| SCHEMBL9614453 | 0.59 | — | — | |
| SCHEMBL11061793 | 0.59 | — | — | |
| SCHEMBL31264939 | 0.59 | — | — | |
| SCHEMBL11368259 | 0.59 | ANPEP (0.32) | — | |
| SCHEMBL15114799 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115417827-A | 6-amino-1, 3, 5-triazine compound and synthesis method and application thereof | 中国药科大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-115260205-A | Dipyrenyl-doped expanded porphyrin, double-palladium metal complex thereof, preparation method and application thereof | 上海大学 | 2022-11-01 | — | — | CN | disclosed |