⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28755318 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL29217832 | 0.83 | — | — | |
| SCHEMBL28347686 | 0.80 | CYP2A6 (0.36) | — | |
| SCHEMBL28557687 | 0.78 | RAB9A (0.33) | — | |
| SCHEMBL28354962 | 0.75 | — | — | |
| SCHEMBL28741713 | 0.74 | MAOA (0.31) | — | |
| Hydrochloric Acid SCHEMBL28432953 | 0.74 | MAOA (0.31) | — | |
| SCHEMBL28379974 | 0.74 | MAOA (0.31) | — | |
| SCHEMBL28379953 | 0.74 | MAOA (0.31) | — | |
| SCHEMBL28381602 | 0.74 | MAOA (0.31) | — |
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-114573826-B | Two-dimensional metal organic framework based on isocyano coordination, preparation method and application | 上海交通大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-114573826-A | Two-dimensional metal organic framework based on isocyano coordination, preparation method and application | 上海交通大学 | 2022-06-03 | — | — | CN | disclosed |