⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5157362 | 0.78 | — | — | |
| SCHEMBL2098362 | 0.78 | — | — | |
| SCHEMBL6883549 | 0.65 | — | — | |
| SCHEMBL7100546 | 0.65 | — | — | |
| SCHEMBL8100539 | 0.64 | — | — | |
| SCHEMBL2430184 | 0.64 | — | — | |
| SCHEMBL1931949 | 0.64 | — | — | |
| SCHEMBL9179592 | 0.61 | — | — | |
| SCHEMBL11045665 | 0.61 | — | — | |
| SCHEMBL2475728 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996006846-A1 | NEW ARYLPIPERAZINE DERIVATIVES | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1996-03-07 | — | — | WO | claimed |
| WO-1999015527-A1 | PROCESS FOR OBTAINING 2-[4-[4-(m- ETHYLSULFONAMIDO-PHENYL) PIPERAZINE-1-YL] BUTYL]-1,3- DIOXOPERHYDROYRROLO [1,2-c]IMIDAZOL | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1999-04-01 | — | — | WO | disclosed |
| WO-1996006846-A1 | NEW ARYLPIPERAZINE DERIVATIVES | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1996-03-07 | — | — | WO | disclosed |