⚠ 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL27851592 | 0.88 | CES1 (0.32) | — | |
| SCHEMBL8749 | 0.85 | — | — | |
| Formic Acid SCHEMBL28218022 | 0.84 | TRIM24 (0.31) | — | |
| SCHEMBL7752615 | 0.79 | TRIM24 (0.43) | — | |
| SCHEMBL4424660 | 0.77 | TRIM24 (0.46) | — | |
| SCHEMBL27870187 | 0.77 | TRIM24 (0.46) | — | |
| Formic Acid Methyl Ester SCHEMBL28447521 | 0.75 | PDE4A (0.31) | — | |
| SCHEMBL9297991 | 0.74 | TRIM24 (0.40) | — | |
| Cyclopentanone SCHEMBL27357951 | 0.74 | TRIM24 (0.56) | — | |
| Cyclopentanone SCHEMBL31198174 | 0.72 | TRIM24 (0.53) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108059599-B | Preparation method of Venetong key intermediate | 凯方医药科技（上海）有限公司 | 2020-08-21 | — | — | CN | claimed |
| CN-108059599-A | A kind of preparation method of Wei Naituoke key intermediates | 凯方医药科技（上海）有限公司 | 2018-05-22 | — | — | CN | claimed |
| CN-108059599-B | Preparation method of Venetong key intermediate | 凯方医药科技（上海）有限公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-108059599-B | Preparation method of Venetong key intermediate | 凯方医药科技（上海）有限公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-108059599-A | A kind of preparation method of Wei Naituoke key intermediates | 凯方医药科技（上海）有限公司 | 2018-05-22 | — | — | CN | disclosed |