⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8135 | 0.96 | — | — | |
| SCHEMBL8579517 | 0.96 | LMNA (0.52) | — | |
| Hydrochloric Acid SCHEMBL28830731 | 0.93 | LMNA (0.50) | — | |
| Bromide SCHEMBL1446624 | 0.93 | — | — | |
| Methane SCHEMBL28514675 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL5903833 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL146858 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27625573 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28832512 | 0.90 | — | — | |
| Bromide SCHEMBL27577669 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114920692-B | Fluorine-containing pyridine nitrogen oxide derivative and preparation method thereof | 上海大学 | 2025-03-14 | — | — | CN | disclosed |