⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL868391 | 0.94 | — | — | |
| SCHEMBL868487 | 0.94 | — | — | |
| SCHEMBL23721 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL2150536 | 0.80 | — | — | |
| SCHEMBL28363166 | 0.80 | ALDH1A1 (0.42) | — | |
| Isopropyl Alcohol SCHEMBL1133679 | 0.76 | — | — | |
| SCHEMBL29035022 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL16874415 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL10508688 | 0.76 | — | — | |
| Lithium Ion SCHEMBL31415922 | 0.74 | ALDH1A1 (0.36) | — |
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-109852227-A | A kind of UV cure wood coatings | 安徽开林新材料股份有限公司 | 2019-06-07 | — | — | CN | claimed |
| CN-109722138-A | A kind of flame-proof antibiotic ultraviolet-curing paint | 安徽开林新材料股份有限公司 | 2019-05-07 | — | — | CN | disclosed |