⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3518 | 0.89 | — | — | |
| SCHEMBL27645637 | 0.87 | — | — | |
| SCHEMBL28082266 | 0.87 | — | — | |
| Chlorolithium SCHEMBL28286499 | 0.85 | — | — | |
| SCHEMBL28217200 | 0.85 | — | — | |
| SCHEMBL28082238 | 0.82 | ACHE (0.33) | — | |
| Methylamine SCHEMBL28082273 | 0.82 | ACHE (0.33) | — | |
| SCHEMBL28082278 | 0.80 | ACHE (0.32) | — | |
| SCHEMBL28082255 | 0.76 | — | — | |
| SCHEMBL28082253 | 0.76 | — | — |
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-108794370-A | A kind of preparation method for drawing sieve to replace Buddhist nun's intermediate | 上海弈柯莱生物医药科技有限公司 | 2018-11-13 | — | — | CN | disclosed |