⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10459460 | 0.87 | — | — | |
| SCHEMBL9781982 | 0.84 | — | — | |
| SCHEMBL9781997 | 0.84 | — | — | |
| SCHEMBL9027917 | 0.81 | MEN1 (0.48) | — | |
| SCHEMBL9027922 | 0.81 | MEN1 (0.48) | — | |
| SCHEMBL9781770 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL9751522 | 0.80 | POLB (0.60) | — | |
| SCHEMBL9781792 | 0.80 | PKM (0.50) | — | |
| SCHEMBL10470709 | 0.79 | — | — | |
| SCHEMBL10469605 | 0.78 | — | — |
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-4923870-A | 2-Carbonyl substituted N,N'-di-(trimethoxygenzoyl)piperazines, process for preparing the same and therapeutical compounds containing them | Societe de Conseils de Reserches et d'Applications Scientifiques (FR) | 1990-05-08 | — | — | US | disclosed |