⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34977 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28031555 | 0.92 | — | — | |
| SCHEMBL31382822 | 0.92 | — | — | |
| SCHEMBL28227398 | 0.92 | — | — | |
| SCHEMBL3943980 | 0.92 | — | — | |
| Water SCHEMBL27503619 | 0.92 | — | — | |
| SCHEMBL8418475 | 0.92 | — | — | |
| SCHEMBL10879594 | 0.92 | — | — | |
| SCHEMBL28281501 | 0.92 | — | — | |
| SCHEMBL28227400 | 0.89 | — | — |
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-116444556-A | Preparation method of organosilicon intermediate 4-benzonitrile oxyalkyl trialkoxy silane | 苏州威迈芯材半导体有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-116444556-A | Preparation method of organosilicon intermediate 4-benzonitrile oxyalkyl trialkoxy silane | 苏州威迈芯材半导体有限公司 | 2023-07-18 | — | — | CN | disclosed |