⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9261865 | 1.00 | — | — | |
| SCHEMBL9254533 | 1.00 | — | — | |
| SCHEMBL13840523 | 0.73 | — | — | |
| SCHEMBL8471281 | 0.73 | — | — | |
| SCHEMBL3674559 | 0.73 | — | — | |
| SCHEMBL3674557 | 0.73 | — | — | |
| SCHEMBL27999817 | 0.73 | — | — | |
| SCHEMBL6427913 | 0.69 | — | — | |
| SCHEMBL1783898 | 0.69 | — | — | |
| SCHEMBL1783896 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5576449-A | Preparation of 2-substituted but-2-ene-1,4-dial-4-acetals and novel hemiacetals of glyoxal monoacetals | BASF AKTIENGESELLSCHAFT (DE) | 1996-11-19 | — | — | US | disclosed |
| US-5565583-A | Preparation of 2-substituted but-2-ene-1, 4-dial-4-acetals and novel hemiacetals of glyoxal monoacetals | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-15 | — | — | US | disclosed |