⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28149262 | 0.92 | FAAH (0.31) | — | |
| SCHEMBL28149261 | 0.88 | FAAH (0.31) | — | |
| SCHEMBL28490304 | 0.80 | NR1H2 (0.30) | — | |
| SCHEMBL28150232 | 0.74 | NR1H2 (0.31) | — | |
| SCHEMBL28488407 | 0.73 | JAK3 (0.35) | — | |
| SCHEMBL27379239 | 0.71 | BCHE (0.36) | — | |
| SCHEMBL28150229 | 0.70 | NR1H2 (0.33) | — | |
| SCHEMBL2494601 | 0.66 | GPR119 (0.34) | — | |
| SCHEMBL1163659 | 0.66 | CTSK (0.31) | — | |
| SCHEMBL15540502 | 0.66 | CTSK (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883238-B | Preparation method of alpha-azaspiro compound | 贵州医科大学 | 2020-12-18 | — | — | CN | disclosed |
| CN-106883238-A | A kind of preparation method of α aza toroids compound | 贵州医科大学 | 2017-06-23 | — | — | CN | disclosed |