⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5152479 | 0.97 | PDK1 (0.34) | — | |
| SCHEMBL22371828 | 0.97 | PDK1 (0.34) | — | |
| SCHEMBL22694798 | 0.97 | PDK1 (0.34) | — | |
| SCHEMBL1545093 | 0.86 | — | — | |
| SCHEMBL6114283 | 0.80 | — | — | |
| SCHEMBL17885866 | 0.80 | PDK1 (0.31) | — | |
| SCHEMBL18792866 | 0.78 | — | — | |
| SCHEMBL1034374 | 0.78 | PDK1 (0.34) | — | |
| SCHEMBL17885864 | 0.78 | PDK1 (0.34) | — | |
| SCHEMBL20434835 | 0.75 | PDK1 (0.33) | — |
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-115611703-B | Hydrofluorocycloalkanes and preparation method and application thereof | 北京宇极科技发展有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-115611703-A | Hydrofluorocycloalkane, process for its preparation and its use | 北京宇极科技发展有限公司 | 2023-01-17 | — | — | CN | disclosed |