⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15157117 | 0.78 | L3MBTL1 (0.34) | — | |
| SCHEMBL21960147 | 0.77 | ADORA2A (0.33) | — | |
| SCHEMBL16416319 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL16416048 | 0.69 | — | — | |
| SCHEMBL12344045 | 0.66 | — | — | |
| SCHEMBL29954122 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL18965032 | 0.64 | — | — | |
| SCHEMBL9342106 | 0.64 | — | — | |
| SCHEMBL13072298 | 0.64 | CYP19A1 (0.46) | — | |
| SCHEMBL15332973 | 0.63 | MEN1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3024832-A1 | 1-(PIPERAZIN-1-YL)-2-([1,2,4]TRIAZOL-1-YL)-ETHANONE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2016-06-01 | — | — | EP | claimed |
| WO-2015011099-A1 | 1-(PIPERAZIN-1-YL)-2-([1,2,4]TRIAZOL-1-YL)-ETHANONE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-01-29 | — | — | WO | claimed |
| EP-3024832-A1 | 1-(PIPERAZIN-1-YL)-2-([1,2,4]TRIAZOL-1-YL)-ETHANONE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2016-06-01 | — | — | EP | disclosed |
| WO-2015011099-A1 | 1-(PIPERAZIN-1-YL)-2-([1,2,4]TRIAZOL-1-YL)-ETHANONE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-01-29 | — | — | WO | disclosed |