⚠ 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27940575 | 0.86 | — | — | |
| SCHEMBL8469642 | 0.74 | — | — | |
| SCHEMBL28167900 | 0.74 | — | — | |
| SCHEMBL22756678 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL27972360 | 0.71 | — | — | |
| SCHEMBL5161248 | 0.64 | — | — | |
| SCHEMBL31281425 | 0.64 | — | — | |
| SCHEMBL2831467 | 0.64 | — | — | |
| SCHEMBL3746748 | 0.64 | — | — | |
| SCHEMBL27280308 | 0.64 | — | — |
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-103641772-B | The preparation method of (2R, 4R)-4-methyl piperidine-2-Ethyl formate compound | 北京成宇化工有限公司 | 2016-08-17 | — | — | CN | disclosed |