⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6960201 | 0.79 | — | — | |
| SCHEMBL6972663 | 0.77 | — | — | |
| SCHEMBL6973727 | 0.75 | — | — | |
| SCHEMBL1401066 | 0.73 | MGAM (0.45) | — | |
| Ethylene SCHEMBL10939775 | 0.72 | — | — | |
| Ethylene SCHEMBL11601730 | 0.72 | MGAM (0.50) | — | |
| SCHEMBL10389469 | 0.71 | MGAM (0.56) | — | |
| SCHEMBL2128645 | 0.71 | MGAM (0.56) | — | |
| SCHEMBL1608 | 0.71 | — | — | |
| SCHEMBL71051 | 0.71 | — | — |
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-20030009005-A1 | Acetoacetylated diamines and polyamines | LONZA AG (CH) | 2003-01-09 | — | — | US | disclosed |
| EP-1259479-A1 | ACETOACETYLATED DIAMINES AND POLYAMINES | Lonza AG (CH) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001064626-A1 | ACETOACETYLATED DIAMINES AND POLYAMINES | LONZA AG (CH) | 2001-09-07 | — | — | WO | disclosed |