⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL477706 | 0.96 | — | — | |
| SCHEMBL24570 | 0.96 | — | — | |
| SCHEMBL477853 | 0.96 | — | — | |
| Potassium SCHEMBL29657066 | 0.92 | — | — | |
| SCHEMBL29657081 | 0.92 | — | — | |
| SCHEMBL5671536 | 0.85 | — | — | |
| SCHEMBL8108432 | 0.82 | TSHR (0.39) | — | |
| Lindane SCHEMBL9806015 | 0.79 | TSHR (0.42) | — | |
| Hexane SCHEMBL17394507 | 0.79 | TSHR (0.44) | — | |
| Trifluoroethanol SCHEMBL8108429 | 0.77 | TDP1 (0.42) | — |
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-113769592-B | Quaternized modified polyarylether membrane material and preparation method and application thereof | 吉林大学 | 2022-06-24 | — | — | CN | claimed |
| CN-113769592-B | Quaternized modified polyarylether membrane material and preparation method and application thereof | 吉林大学 | 2022-06-24 | — | — | CN | disclosed |