⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12954033 | 1.00 | — | — | |
| SCHEMBL14893446 | 1.00 | — | — | |
| SCHEMBL14896098 | 1.00 | — | — | |
| SCHEMBL765702 | 1.00 | — | — | |
| Alcohol SCHEMBL14108707 | 0.96 | JAK2 (0.34) | — | |
| SCHEMBL17336290 | 0.95 | PABPC1 (0.38) | — | |
| SCHEMBL12797461 | 0.95 | PABPC1 (0.38) | — | |
| SCHEMBL14368919 | 0.95 | PABPC1 (0.38) | — | |
| SCHEMBL10145343 | 0.95 | PABPC1 (0.38) | — | |
| SCHEMBL16378039 | 0.95 | PABPC1 (0.38) | — |
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-2023125803-A1 | HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 北京鞍石生物科技有限责任公司 | 2023-07-06 | — | — | WO | disclosed |