⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9504246 | 1.00 | — | — | |
| SCHEMBL11980195 | 0.79 | — | — | |
| SCHEMBL9788004 | 0.79 | — | — | |
| SCHEMBL1786206 | 0.75 | — | — | |
| SCHEMBL1786208 | 0.75 | — | — | |
| SCHEMBL1783596 | 0.75 | PTPN1 (0.42) | — | |
| SCHEMBL1783597 | 0.75 | PTPN1 (0.42) | — | |
| SCHEMBL16273089 | 0.71 | — | — | |
| SCHEMBL12152651 | 0.71 | PTPN1 (0.40) | — | |
| SCHEMBL9418065 | 0.70 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1325919-A1 | Process for the preparation of polyendialdehydemonoacetals | BASF AKTIENGESELLSCHAFT (DE) | 2003-07-09 | — | — | EP | disclosed |
| US-4410719-A | Preparation of 2-alkyl-4,4-diacyloxybut-2-enals | BASF AKTIENGESELLSCHAFT (DE) | 1983-10-18 | — | — | US | disclosed |