⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3293918 | 0.85 | — | — | |
| SCHEMBL2319925 | 0.76 | — | — | |
| SCHEMBL18232546 | 0.76 | — | — | |
| SCHEMBL11503958 | 0.73 | KDM4E (0.46) | — | |
| SCHEMBL3258672 | 0.73 | — | — | |
| SCHEMBL3380412 | 0.71 | USP2 (0.40) | — | |
| SCHEMBL11503756 | 0.68 | KDM4E (0.38) | — | |
| SCHEMBL2754687 | 0.67 | — | — | |
| SCHEMBL28259078 | 0.67 | — | — | |
| SCHEMBL94166 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4362664-A | MYTOSIS INHIBITORS, ALKALOIDS | ELI LILLY AND COMPANY (US) | 1982-12-07 | — | — | US | disclosed |