⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29211891 | 0.84 | — | — | |
| SCHEMBL9500272 | 0.76 | — | — | |
| SCHEMBL29211882 | 0.76 | — | — | |
| SCHEMBL28290727 | 0.73 | — | — | |
| SCHEMBL30481498 | 0.72 | — | — | |
| SCHEMBL29211883 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL220514 | 0.71 | — | — | |
| Butane SCHEMBL116210 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL28332402 | 0.68 | — | — | |
| SCHEMBL27818478 | 0.68 | — | — |
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-116410226-A | Ketoxime/aldoxime-phosphonate/phosphinic acid compound and preparation method and application thereof | 南华大学 | 2023-07-11 | — | — | CN | disclosed |