⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8816870 | 0.75 | — | — | |
| SCHEMBL9712389 | 0.73 | — | — | |
| SCHEMBL11799495 | 0.70 | — | — | |
| SCHEMBL6915285 | 0.70 | — | — | |
| SCHEMBL9315427 | 0.70 | — | — | |
| SCHEMBL28855274 | 0.70 | — | — | |
| SCHEMBL23209731 | 0.67 | — | — | |
| SCHEMBL28866435 | 0.67 | — | — | |
| SCHEMBL19056971 | 0.65 | — | — | |
| SCHEMBL15168388 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4318783-A | Process for the preparation of optionally substituted benzaldehyde dialkyl acetals | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |
| EP-0012240-B1 | PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS | BAYER AG (DE) | 1982-01-20 | — | — | EP | disclosed |
| EP-0012240-A2 | Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals | BAYER AG (DE) | 1980-06-25 | — | — | EP | disclosed |