⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5436051 | 0.77 | — | — | |
| SCHEMBL8975117 | 0.77 | — | — | |
| SCHEMBL379601 | 0.74 | — | — | |
| SCHEMBL5173431 | 0.71 | — | — | |
| SCHEMBL29604401 | 0.70 | — | — | |
| SCHEMBL10940336 | 0.70 | — | — | |
| SCHEMBL329811 | 0.70 | — | — | |
| SCHEMBL430966 | 0.69 | — | — | |
| SCHEMBL10712660 | 0.69 | FDPS (0.31) | — | |
| SCHEMBL11057326 | 0.67 | — | — |
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-117169488-A | Artificial nano channel capable of being reversibly switched between different permeation states and preparation method and application thereof | 华东理工大学 | 2023-12-05 | — | — | CN | claimed |
| CN-117169488-A | Artificial nano channel capable of being reversibly switched between different permeation states and preparation method and application thereof | 华东理工大学 | 2023-12-05 | — | — | CN | disclosed |
| US-20040197484-A1 | Coating liquid for forming insulating film and method for producing insulating film | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-10-07 | — | — | US | disclosed |