⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22199743 | 0.96 | — | — | |
| Water SCHEMBL30480124 | 0.73 | POLB (0.33) | — | |
| SCHEMBL16349268 | 0.71 | — | — | |
| SCHEMBL30296366 | 0.69 | — | — | |
| SCHEMBL15711982 | 0.69 | — | — | |
| SCHEMBL28798740 | 0.69 | — | — | |
| SCHEMBL6278266 | 0.69 | — | — | |
| SCHEMBL23733013 | 0.67 | — | — | |
| SCHEMBL2501121 | 0.67 | — | — | |
| SCHEMBL19138789 | 0.67 | POLB (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119798058-A | Preparation method of alpha-alkyl ketone derivative | 浙江工业大学 | 2025-04-11 | — | — | CN | claimed |
| CN-116903494-A | Preparation method of alpha-alkyl nitrile derivative and alpha-alkenyl nitrile derivative | 浙江工业大学 | 2023-10-20 | — | — | CN | claimed |
| CN-119798058-B | Preparation method of alpha-alkyl ketone derivative | 浙江工业大学 | 2026-03-20 | — | — | CN | disclosed |
| CN-119798058-A | Preparation method of alpha-alkyl ketone derivative | 浙江工业大学 | 2025-04-11 | — | — | CN | disclosed |
| CN-119798058-A | Preparation method of alpha-alkyl ketone derivative | 浙江工业大学 | 2025-04-11 | — | — | CN | disclosed |
| CN-116903494-A | Preparation method of alpha-alkyl nitrile derivative and alpha-alkenyl nitrile derivative | 浙江工业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-116903494-A | Preparation method of alpha-alkyl nitrile derivative and alpha-alkenyl nitrile derivative | 浙江工业大学 | 2023-10-20 | — | — | CN | disclosed |