⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12345 | 0.97 | — | — | |
| SCHEMBL16972759 | 0.97 | HSP90AA1 (0.46) | — | |
| SCHEMBL29363842 | 0.97 | — | — | |
| Water SCHEMBL28543836 | 0.94 | — | — | |
| Ethane SCHEMBL162068 | 0.94 | — | — | |
| Pyrazine SCHEMBL61481 | 0.94 | HSP90AA1 (0.43) | — | |
| SCHEMBL27552360 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2856209 | 0.94 | — | — | |
| Pyrazine SCHEMBL1521406 | 0.94 | HSP90AA1 (0.43) | — | |
| Pyrazine SCHEMBL1521570 | 0.94 | HSP90AA1 (0.43) | — |
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-117702179-A | Preparation method and application of Ru nanoparticle doped NF/Co (OH) F-2mpz | 吉林大学 | 2024-03-15 | — | — | CN | disclosed |