⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18806997 | 0.72 | — | — | |
| SCHEMBL29222358 | 0.70 | — | — | |
| SCHEMBL22259865 | 0.68 | — | — | |
| SCHEMBL25468125 | 0.65 | — | — | |
| SCHEMBL17738289 | 0.56 | — | — | |
| SCHEMBL13160601 | 0.55 | — | — | |
| SCHEMBL688876 | 0.54 | — | — | |
| SCHEMBL31290748 | 0.54 | — | — | |
| SCHEMBL24737755 | 0.53 | — | — | |
| SCHEMBL28507159 | 0.51 | — | — |
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-2023020604-A1 | FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF | 南京大美生物制药有限公司 | 2023-02-23 | — | — | WO | disclosed |