⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14006366 | 0.69 | — | — | |
| SCHEMBL1594722 | 0.69 | NPC1 (0.31) | — | |
| SCHEMBL1872063 | 0.64 | — | — | |
| SCHEMBL9531138 | 0.64 | — | — | |
| SCHEMBL10693453 | 0.64 | — | — | |
| SCHEMBL14341602 | 0.64 | TDP1 (0.33) | — | |
| SCHEMBL16878198 | 0.63 | — | — | |
| SCHEMBL1053963 | 0.63 | — | — | |
| SCHEMBL16878782 | 0.63 | — | — | |
| SCHEMBL5599093 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | claimed |
| EP-0316672-B1 | PROCESS FOR THE PREPARATION OF GLYOXAL MONOACETALS | BASF Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | disclosed |
| EP-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |