⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21271525 | 0.98 | — | — | |
| SCHEMBL28432106 | 0.96 | — | — | |
| SCHEMBL3446752 | 0.79 | — | — | |
| SCHEMBL2315761 | 0.78 | — | — | |
| SCHEMBL2486040 | 0.76 | — | — | |
| SCHEMBL27613645 | 0.76 | — | — | |
| SCHEMBL27834062 | 0.76 | — | — | |
| SCHEMBL28815562 | 0.76 | — | — | |
| SCHEMBL27916110 | 0.76 | — | — | |
| SCHEMBL345193 | 0.74 | KDM4E (0.35) | — |
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-113045380-B | Method for preparing fluorine-containing dihydric alcohol from fluorine-containing cycloolefin | 中蓝晨光化工研究设计院有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-113045380-A | Method for preparing fluorine-containing dihydric alcohol from fluorine-containing cycloolefin | 中蓝晨光化工研究设计院有限公司 | 2021-06-29 | — | — | CN | disclosed |