⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021063 | 0.90 | — | — | |
| SCHEMBL27815791 | 0.85 | — | — | |
| SCHEMBL28020787 | 0.85 | — | — | |
| SCHEMBL28020786 | 0.74 | FDPS (0.31) | — | |
| SCHEMBL976818 | 0.73 | MMP1 (0.35) | — | |
| SCHEMBL1548681 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL10601926 | 0.72 | GPR84 (0.40) | — | |
| SCHEMBL28090254 | 0.71 | ACHE (0.31) | — | |
| SCHEMBL754546 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL16714780 | 0.71 | KDM5A (0.33) | — |
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-104650357-B | Composition and preparation method thereof comprising nitrogenous organic oxysilane compound | 信越化学工业株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-109923152-A | The manufacturing method of conjugated diene rubber | 日本瑞翁株式会社 | 2019-06-21 | — | — | CN | disclosed |
| CN-104650357-A | Composition containing nitrogen-containing organoxysilane compound and method for making the same | SHINETSU CHEMICAL CO | 2015-05-27 | — | — | CN | disclosed |