⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24267988 | 0.79 | — | — | |
| SCHEMBL22164147 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL22170800 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL11741427 | 0.67 | ABHD6 (0.33) | — | |
| SCHEMBL20679246 | 0.62 | — | — | |
| SCHEMBL668432 | 0.62 | — | — | |
| SCHEMBL668431 | 0.62 | — | — | |
| SCHEMBL22170777 | 0.62 | — | — | |
| SCHEMBL28611393 | 0.62 | HTT (0.38) | — | |
| SCHEMBL24267953 | 0.62 | — | — |
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-113227032-A | Hydrochlorofluoroalkenes and methods of use thereof | 3M创新有限公司 | 2021-08-06 | — | — | CN | disclosed |