⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1533440 | 0.77 | — | — | |
| SCHEMBL5964938 | 0.74 | — | — | |
| Formaldehyde SCHEMBL28921854 | 0.72 | — | — | |
| SCHEMBL557763 | 0.71 | — | — | |
| SCHEMBL10561097 | 0.68 | — | — | |
| SCHEMBL29105953 | 0.67 | — | — | |
| SCHEMBL5595739 | 0.67 | — | — | |
| Butane SCHEMBL4577044 | 0.62 | — | — | |
| SCHEMBL9027634 | 0.62 | — | — | |
| SCHEMBL8337894 | 0.62 | — | — |
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-109422755-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |