⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167159 | 0.74 | — | — | |
| Methylamine SCHEMBL28484189 | 0.72 | — | — | |
| SCHEMBL16566679 | 0.69 | — | — | |
| SCHEMBL28927677 | 0.69 | — | — | |
| SCHEMBL329232 | 0.69 | — | — | |
| SCHEMBL1444233 | 0.67 | — | — | |
| SCHEMBL37379 | 0.67 | — | — | |
| SCHEMBL4514251 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL28868932 | 0.67 | — | — | |
| SCHEMBL5026022 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116769282-A | High-performance epoxy grouting material capable of being used for water stopping, plugging and reinforcing | 广州永科新材料科技有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-110511672-B | Bottom-coating active siloxane composition and preparation method and application thereof | 广东普赛达密封粘胶有限公司 | 2021-05-04 | — | — | CN | disclosed |