⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10933254 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9676748 | 0.73 | — | — | |
| SCHEMBL29258594 | 0.73 | — | — | |
| Water SCHEMBL2424971 | 0.71 | — | — | |
| SCHEMBL6326055 | 0.71 | — | — | |
| SCHEMBL11035966 | 0.71 | — | — | |
| SCHEMBL1568597 | 0.71 | — | — | |
| SCHEMBL29662958 | 0.71 | — | — | |
| SCHEMBL22097873 | 0.71 | — | — | |
| SCHEMBL5774147 | 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 |
|---|---|---|---|---|---|---|---|
| CN-101492383-A | Process for making chiral 1,4-disubstituted piperazines | WYETH CORP (US) | 2009-07-29 | — | — | CN | disclosed |
| CN-100451014-C | Process for preparing chiral 1, 4-disubstituted piperazines | WYETH CORP (US) | 2009-01-14 | — | — | CN | disclosed |
| CN-1642937-A | Process for preparing chiral 1, 4-disubstituted piperazines | WYETH CORP (US) | 2005-07-20 | — | — | CN | disclosed |