⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18167955 | 0.94 | — | — | |
| SCHEMBL9774509 | 0.91 | — | — | |
| SCHEMBL12285119 | 0.90 | — | — | |
| SCHEMBL9774531 | 0.90 | — | — | |
| SCHEMBL12285193 | 0.87 | — | — | |
| SCHEMBL9728322 | 0.86 | — | — | |
| Fluoride SCHEMBL18916923 | 0.77 | — | — | |
| SCHEMBL19170060 | 0.76 | — | — | |
| SCHEMBL2417229 | 0.75 | — | — | |
| SCHEMBL17766655 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002003481-A | NEW PERFLUORO{1,4-BIS[2-(FLUOROCARBONYL)-N- PROPYL]PIPERAZINE} AND METHOD FOR PRODUCING THE SAME | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY | 2002-01-09 | — | — | JP | disclosed |