⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27860524 | 0.89 | GLB1 (0.32) | — | |
| SCHEMBL27860525 | 0.86 | — | — | |
| SCHEMBL29120753 | 0.86 | GUSB (0.35) | — | |
| SCHEMBL29204973 | 0.86 | GUSB (0.35) | — | |
| SCHEMBL29120754 | 0.86 | GUSB (0.35) | — | |
| SCHEMBL29120756 | 0.86 | GUSB (0.35) | — | |
| SCHEMBL27944009 | 0.80 | APP (0.36) | — | |
| SCHEMBL28885798 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL31448380 | 0.78 | GLB1 (0.34) | — | |
| SCHEMBL28873744 | 0.78 | PDE4A (0.30) | — |
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-115069309-B | Enzyme-like catalyst based on metal organic framework material and preparation method and application thereof | 国家纳米科学中心 | 2024-03-05 | — | — | CN | disclosed |
| CN-115069309-A | Enzyme-like catalyst based on metal organic framework material and preparation method and application thereof | 国家纳米科学中心 | 2022-09-20 | — | — | CN | disclosed |