⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21952207 | 0.84 | — | — | |
| SCHEMBL7292726 | 0.82 | RAB9A (0.36) | — | |
| SCHEMBL16519920 | 0.73 | — | — | |
| Water SCHEMBL7173828 | 0.66 | — | — | |
| SCHEMBL9282106 | 0.63 | — | — | |
| SCHEMBL28944683 | 0.63 | TRPM8 (0.39) | — | |
| SCHEMBL27840293 | 0.61 | CA12 (0.56) | — | |
| SCHEMBL55421 | 0.61 | — | — | |
| SCHEMBL9696108 | 0.60 | — | — | |
| SCHEMBL1845838 | 0.58 | — | — |
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-111233782-A | Asymmetric synthesis method for preparing 1, 2-azaoxetane compound | 重庆大学 | 2020-06-05 | — | — | CN | disclosed |