⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6168491 | 0.80 | — | — | |
| SCHEMBL3295699 | 0.65 | — | — | |
| SCHEMBL917578 | 0.65 | — | — | |
| SCHEMBL9987289 | 0.62 | — | — | |
| SCHEMBL2597963 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL17526395 | 0.61 | CA1 (0.33) | — | |
| SCHEMBL9333338 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL9621128 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL8663161 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL8346675 | 0.56 | OR51E2 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284359-B1 | 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1992-01-08 | — | — | EP | disclosed |
| US-4997836-A | Inhibitor of platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0369810-A2 | PAF antagonists as anti-hyperendothelinemia agents | Takeda Chemical Industries, Ltd. (JP) | 1990-05-23 | — | — | EP | disclosed |
| EP-0368670-A1 | Trisubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-05-16 | — | — | EP | disclosed |
| US-4880809-A | HYPOTENSIVE AGENTS, AMIDE DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-11-14 | — | — | US | disclosed |
| EP-0284359-A1 | 1,4-Disubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-09-28 | — | — | EP | disclosed |