⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27627574 | 0.97 | ALDH1A1 (0.42) | — | |
| Water SCHEMBL21525772 | 0.97 | — | — | |
| SCHEMBL20472689 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL10422 | 0.97 | — | — | |
| Bicarbonate SCHEMBL10664237 | 0.94 | ALDH1A1 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL902359 | 0.94 | — | — | |
| Iodide SCHEMBL30758542 | 0.94 | — | — | |
| SCHEMBL29144595 | 0.94 | — | — | |
| SCHEMBL3795943 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8373707 | 0.94 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108948062-B | Preparation method of α -cyano acryloxy structure organic silicon compound with anthracene protection | 杭州师范大学 | 2020-06-19 | — | — | CN | disclosed |