⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3195059 | 0.77 | — | — | |
| SCHEMBL26732154 | 0.72 | — | — | |
| SCHEMBL8402497 | 0.72 | — | — | |
| SCHEMBL22322677 | 0.72 | — | — | |
| SCHEMBL9838354 | 0.72 | — | — | |
| SCHEMBL4393797 | 0.72 | — | — | |
| SCHEMBL1545883 | 0.72 | — | — | |
| SCHEMBL22339947 | 0.72 | — | — | |
| SCHEMBL14778061 | 0.71 | — | — | |
| SCHEMBL19921587 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108786804-B | Hydrogenation catalyst, preparation method and application thereof | 王鹏飞 | 2021-01-26 | — | — | CN | disclosed |