⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL16861381 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL209038 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28049263 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9745186 | 0.94 | — | — | |
| SCHEMBL9720250 | 0.94 | — | — | |
| SCHEMBL1018939 | 0.94 | — | — | |
| SCHEMBL71779 | 0.94 | — | — | |
| SCHEMBL9646 | 0.94 | — | — | |
| SCHEMBL2287459 | 0.90 | — | — | |
| SCHEMBL10401525 | 0.90 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720579-A | Imidazoline nitrogen phosphorus ligand and preparation method and application thereof | 南方科技大学 | 2024-03-19 | — | — | CN | claimed |
| CN-117720579-A | Imidazoline nitrogen phosphorus ligand and preparation method and application thereof | 南方科技大学 | 2024-03-19 | — | — | CN | disclosed |
| CN-117720579-A | Imidazoline nitrogen phosphorus ligand and preparation method and application thereof | 南方科技大学 | 2024-03-19 | — | — | CN | disclosed |