⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18955383 | 0.88 | — | — | |
| SCHEMBL9425878 | 0.75 | — | — | |
| Water SCHEMBL28102893 | 0.73 | L3MBTL1 (0.31) | — | |
| SCHEMBL31753379 | 0.71 | — | — | |
| SCHEMBL27598052 | 0.71 | — | — | |
| Water SCHEMBL28249758 | 0.71 | — | — | |
| Water SCHEMBL28304420 | 0.69 | — | — | |
| Water SCHEMBL28861892 | 0.69 | — | — | |
| Water SCHEMBL28162895 | 0.69 | L3MBTL1 (0.39) | — | |
| SCHEMBL28249063 | 0.68 | — | — |
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-105646532-A | Synthesis method of 2-tertbutyloxycarbonyl-10-carbonyl-8-oxo-2,11-diazaspiro[5.6]dodecane | 上海药明康德新药开发有限公司 | 2016-06-08 | — | — | CN | disclosed |