⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21649850 | 0.69 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL21003639 | 0.63 | SIGMAR1 (0.44) | — | |
| SCHEMBL22430838 | 0.51 | — | — | |
| SCHEMBL13803209 | 0.49 | — | — | |
| SCHEMBL25402837 | 0.49 | — | — | |
| SCHEMBL104998 | 0.47 | — | — | |
| SCHEMBL15047507 | 0.46 | — | — | |
| SCHEMBL6999708 | 0.45 | — | — | |
| SCHEMBL910433 | 0.45 | — | — | |
| Ammonia Solution, Strong SCHEMBL7055612 | 0.45 | — | — |
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-2022012534-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS | 广州费米子科技有限责任公司 | 2022-01-20 | — | — | WO | disclosed |