⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20155722 | 0.83 | EGFR (0.39) | — | |
| SCHEMBL28315992 | 0.79 | — | — | |
| SCHEMBL20155150 | 0.79 | — | — | |
| SCHEMBL20155435 | 0.79 | KDR (0.35) | — | |
| SCHEMBL20155576 | 0.71 | RET (0.42) | — | |
| SCHEMBL20155142 | 0.71 | CREBBP (0.32) | — | |
| SCHEMBL529516 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL30937638 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL20155717 | 0.69 | ERN1 (0.33) | — | |
| SCHEMBL20155536 | 0.68 | KDM4E (0.37) | — |
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 |