⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10915596 | 0.94 | TSHR (0.33) | — | |
| SCHEMBL15380682 | 0.83 | CA12 (0.33) | — | |
| SCHEMBL28744394 | 0.82 | — | — | |
| SCHEMBL29084789 | 0.78 | ACHE (0.41) | — | |
| SCHEMBL28562187 | 0.78 | ACHE (0.41) | — | |
| SCHEMBL27431726 | 0.78 | CA12 (0.40) | — | |
| SCHEMBL27525356 | 0.78 | CA12 (0.46) | — | |
| SCHEMBL19990190 | 0.77 | MEN1 (0.46) | — | |
| SCHEMBL4231014 | 0.75 | — | — | |
| SCHEMBL8679800 | 0.73 | TSHR (0.41) | — |
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-116747194-A | Sildenafil-loaded active oxygen response type silicon oxide crosslinked micelle and preparation method and application thereof | 中国药科大学 | 2023-09-15 | — | — | CN | claimed |
| CN-116747194-A | Sildenafil-loaded active oxygen response type silicon oxide crosslinked micelle and preparation method and application thereof | 中国药科大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-114121338-A | Organic ligand modified micron gold, preparation method thereof and conductive gold paste | 长沙新材料产业研究院有限公司 | 2022-03-01 | — | — | CN | disclosed |