⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25897850 | 0.54 | — | — | |
| SCHEMBL54204 | 0.52 | — | — | |
| SCHEMBL17118248 | 0.51 | — | — | |
| SCHEMBL6729102 | 0.49 | — | — | |
| SCHEMBL4648975 | 0.49 | GSK3A (0.30) | — | |
| SCHEMBL28164009 | 0.48 | MGLL (0.41) | — | |
| SCHEMBL18585639 | 0.48 | GSK3A (0.30) | — | |
| Hydrochloric Acid SCHEMBL2261252 | 0.48 | — | — | |
| Hydrochloric Acid SCHEMBL2262288 | 0.48 | — | — | |
| SCHEMBL27572077 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |