⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1485767 | 0.66 | — | — | |
| SCHEMBL17867814 | 0.64 | — | — | |
| SCHEMBL23953091 | 0.63 | — | — | |
| SCHEMBL19316203 | 0.62 | — | — | |
| SCHEMBL23595327 | 0.62 | — | — | |
| SCHEMBL13783228 | 0.62 | — | — | |
| SCHEMBL20367576 | 0.61 | — | — | |
| SCHEMBL12462982 | 0.58 | — | — | |
| SCHEMBL27305373 | 0.58 | — | — | |
| SCHEMBL13782864 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3403651-B1 | ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF | LANZHOU INST CHEMICAL PHYSICS CAS (CN) | 2019-10-30 | — | — | EP | disclosed |