⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10502744 | 0.93 | OPRM1 (0.42) | — | |
| SCHEMBL10504056 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL10503946 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL10502617 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL10504385 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL10504166 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL10504092 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL276265 | 0.84 | — | — | |
| SCHEMBL19284303 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL77753 | 0.77 | — | — |
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-116947718-A | Preparation method of high-quality 3-ethylthio butyraldehyde | 益丰新材料股份有限公司 | 2023-10-27 | — | — | CN | disclosed |
| US-4355184-A | BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC | NIPPON SODA COMPANY LIMITED (JP) | 1982-10-19 | — | — | US | disclosed |