⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5014072 | 0.77 | — | — | |
| SCHEMBL2276292 | 0.77 | — | — | |
| SCHEMBL31296255 | 0.74 | — | — | |
| SCHEMBL1153789 | 0.74 | — | — | |
| SCHEMBL11493829 | 0.74 | — | — | |
| SCHEMBL10510 | 0.70 | — | — | |
| SCHEMBL10918298 | 0.70 | — | — | |
| SCHEMBL11503275 | 0.70 | — | — | |
| SCHEMBL7221553 | 0.70 | — | — | |
| SCHEMBL27481903 | 0.69 | — | — |
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-107001356-B | Indoli zine derivatives for neurodegenerative disorders | 默克专利有限公司 | 2019-09-03 | — | — | CN | disclosed |