⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL743881 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL6682703 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL3976805 | 0.73 | — | — | |
| Carbon Tetrachloride SCHEMBL29044091 | 0.70 | — | — | |
| Trichlorethanol SCHEMBL1027 | 0.70 | — | — | |
| SCHEMBL18753189 | 0.70 | — | — | |
| SCHEMBL8658055 | 0.70 | — | — | |
| SCHEMBL4407516 | 0.67 | — | — | |
| SCHEMBL997521 | 0.67 | — | — | |
| SCHEMBL1087042 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108148191-B | Branched polyether, intermediate and preparation method thereof | 上海东大化学有限公司 | 2020-12-25 | — | — | CN | claimed |
| CN-108148191-B | Branched polyether, intermediate and preparation method thereof | 上海东大化学有限公司 | 2020-12-25 | — | — | CN | disclosed |
| CN-108148191-B | Branched polyether, intermediate and preparation method thereof | 上海东大化学有限公司 | 2020-12-25 | — | — | CN | disclosed |