⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5527565 | 0.77 | — | — | |
| SCHEMBL4646387 | 0.74 | — | — | |
| SCHEMBL5855982 | 0.74 | — | — | |
| SCHEMBL6178790 | 0.74 | — | — | |
| SCHEMBL29256041 | 0.72 | TSHR (0.55) | — | |
| SCHEMBL480197 | 0.72 | CYP4F2 (0.38) | — | |
| SCHEMBL159468 | 0.71 | — | — | |
| SCHEMBL22341324 | 0.70 | — | — | |
| SCHEMBL22341276 | 0.70 | — | — | |
| SCHEMBL10538940 | 0.70 | — | — |
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-106883238-A | A kind of preparation method of α aza toroids compound | 贵州医科大学 | 2017-06-23 | — | — | CN | disclosed |