⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12604569 | 1.00 | HIF1A (0.39) | — | |
| Bromide SCHEMBL1567698 | 0.96 | HIF1A (0.36) | — | |
| Hydrochloric Acid SCHEMBL18770823 | 0.96 | HIF1A (0.36) | — | |
| SCHEMBL2113537 | 0.96 | HIF1A (0.42) | — | |
| SCHEMBL18770812 | 0.89 | CXCR4 (0.33) | — | |
| Bromide SCHEMBL18770824 | 0.87 | CXCR4 (0.32) | — | |
| SCHEMBL18770798 | 0.87 | CXCR4 (0.39) | — | |
| SCHEMBL4905025 | 0.85 | CXCR4 (0.35) | — | |
| Bromide SCHEMBL18770834 | 0.84 | CXCR4 (0.37) | — | |
| Bromide SCHEMBL18770826 | 0.84 | CXCR4 (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080058543-A1 | Process for making chiral 1,4-disubstituted piperazines | ZELDIS JOSEPH | 2008-03-06 | — | — | US | disclosed |
| US-7256289-B2 | Process for making chiral 1,4-disubstituted piperazines | WYETH (US) | 2007-08-14 | — | — | US | disclosed |
| US-7019137-B2 | Process for making chiral 1,4-disubstituted piperazines | WYETH (US) | 2006-03-28 | — | — | US | disclosed |
| US-20050228181-A1 | Process for making chiral 1,4-disubstituted piperazines | WYETH (US) | 2005-10-13 | — | — | US | disclosed |
| EP-1483256-A2 | PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES | Wyeth (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20030208075-A1 | Process for making chiral 1,4-disubstituted piperazines | WYETH | 2003-11-06 | — | — | US | disclosed |
| WO-2003078420-A2 | PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES | WYETH (US) | 2003-09-25 | — | — | WO | disclosed |