⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29291158 | 1.00 | — | — | |
| SCHEMBL3694198 | 0.86 | GABRP (0.31) | — | |
| SCHEMBL27744703 | 0.85 | — | — | |
| SCHEMBL7583693 | 0.80 | CHRNB2 (0.32) | — | |
| SCHEMBL27987055 | 0.79 | — | — | |
| SCHEMBL8315816 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL8315133 | 0.77 | GAA (0.33) | — | |
| SCHEMBL21004936 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL7582689 | 0.76 | L3MBTL1 (0.33) | — | |
| SCHEMBL1351693 | 0.76 | CHRM2 (0.33) | — |
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-0803502-B1 | Process for the preparation of optically active piperazine-2-carboxylic acid derivatives | LONZA AG (CH) | 2002-06-26 | — | — | EP | disclosed |
| EP-0803502-A2 | Process for the preparation of optically active piperazine-2-carboxylic acid derivatives | LONZA AG (CH) | 1997-10-29 | — | — | EP | disclosed |