⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL6532110 | 0.91 | — | — | |
| Pyridine SCHEMBL28067297 | 0.91 | NAPRT (0.90) | — | |
| Pyridine SCHEMBL5278800 | 0.88 | NAPRT (0.69) | — | |
| Pyridine SCHEMBL5875149 | 0.88 | NAPRT (0.69) | — | |
| Pyridine SCHEMBL910099 | 0.88 | NAPRT (0.69) | — | |
| Pyridine SCHEMBL28412078 | 0.88 | NAPRT (0.69) | — | |
| Pyridine SCHEMBL28910607 | 0.87 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL2348132 | 0.87 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL1206485 | 0.87 | — | — | |
| Pyridine SCHEMBL15309118 | 0.87 | NAPRT (0.82) | — |
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-117430139-A | Sodium hexafluorophosphate liquid product and preparation method and application thereof | 江苏新泰材料科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-116282085-A | Preparation method of lithium hexafluorophosphate | 浙江蓝天环保高科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |