⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28441002 | 0.90 | AOC3 (0.33) | — | |
| SCHEMBL28321941 | 0.89 | AOC3 (0.34) | — | |
| SCHEMBL28320895 | 0.89 | — | — | |
| SCHEMBL28320890 | 0.87 | SLC6A4 (0.33) | — | |
| SCHEMBL28321935 | 0.87 | — | — | |
| SCHEMBL28320891 | 0.87 | — | — | |
| SCHEMBL28441514 | 0.87 | SLC6A4 (0.32) | — | |
| SCHEMBL28322014 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL28452007 | 0.86 | AOC3 (0.35) | — | |
| SCHEMBL28439723 | 0.86 | SLC6A4 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110357842-B | Fluoroalkyl substituted furan compound and preparation method thereof | 南京工业大学 | 2022-12-16 | — | — | CN | claimed |
| CN-111574564-A | Fluoroalkyl-substituted furyl diphosphine oxygen compound and preparation method thereof | 南京工业大学 | 2020-08-25 | — | — | CN | claimed |
| CN-111560038-A | Fluoroalkyl-substituted furyl monophosphine oxide compound and preparation method thereof | 南京工业大学 | 2020-08-21 | — | — | CN | claimed |
| CN-110357842-B | Fluoroalkyl substituted furan compound and preparation method thereof | 南京工业大学 | 2022-12-16 | — | — | CN | disclosed |
| CN-111574564-A | Fluoroalkyl-substituted furyl diphosphine oxygen compound and preparation method thereof | 南京工业大学 | 2020-08-25 | — | — | CN | disclosed |
| CN-111560038-A | Fluoroalkyl-substituted furyl monophosphine oxide compound and preparation method thereof | 南京工业大学 | 2020-08-21 | — | — | CN | disclosed |