⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27785831 | 0.87 | — | — | |
| SCHEMBL302291 | 0.82 | — | — | |
| SCHEMBL4073096 | 0.82 | — | — | |
| SCHEMBL27614474 | 0.82 | — | — | |
| SCHEMBL6421994 | 0.82 | — | — | |
| SCHEMBL25252953 | 0.67 | — | — | |
| SCHEMBL9100439 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL11595797 | 0.67 | — | — | |
| SCHEMBL20819311 | 0.67 | — | — | |
| SCHEMBL21571781 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109364962-B | Nickel phosphide-based catalyst for selective hydrogenation of acetone and preparation method and application thereof | 中国科学院山西煤炭化学研究所 | 2021-03-02 | — | — | CN | disclosed |
| CN-109364962-A | Phosphatization nickel-base catalyst and its preparation method and application for acetone selection plus hydrogen | 中国科学院山西煤炭化学研究所 | 2019-02-22 | — | — | CN | disclosed |