⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11518474 | 1.00 | — | — | |
| SCHEMBL3592420 | 1.00 | — | — | |
| SCHEMBL5165968 | 0.77 | — | — | |
| SCHEMBL5165964 | 0.77 | — | — | |
| SCHEMBL6765110 | 0.77 | — | — | |
| SCHEMBL23027300 | 0.77 | — | — | |
| Pivalate SCHEMBL28262239 | 0.76 | ALDH1A1 (0.50) | — | |
| Tert-Butylamine SCHEMBL14836204 | 0.75 | ALDH1A1 (0.47) | — | |
| Tert-Butylamine SCHEMBL362032 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5166065 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6593300-B1 | Inhibitors of the interleukin-1 beta converting enzyme | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2003-07-15 | — | — | US | disclosed |