⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22053991 | 0.77 | — | — | |
| SCHEMBL12326839 | 0.77 | — | — | |
| SCHEMBL294800 | 0.77 | — | — | |
| SCHEMBL295039 | 0.76 | CTSC (0.34) | — | |
| SCHEMBL15295302 | 0.75 | — | — | |
| SCHEMBL22600384 | 0.75 | — | — | |
| SCHEMBL3379707 | 0.73 | CTSC (0.30) | — | |
| SCHEMBL27873458 | 0.71 | CTSC (0.35) | — | |
| SCHEMBL27826403 | 0.71 | CTSC (0.35) | — | |
| SCHEMBL1992386 | 0.70 | — | — |
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-2022237830-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 苏州信诺维医药科技股份有限公司 | 2022-11-17 | — | — | WO | disclosed |