⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17549880 | 0.76 | — | — | |
| SCHEMBL408779 | 0.69 | — | — | |
| SCHEMBL16021835 | 0.69 | — | — | |
| SCHEMBL2807011 | 0.67 | — | — | |
| SCHEMBL2769165 | 0.67 | — | — | |
| SCHEMBL9891029 | 0.65 | — | — | |
| SCHEMBL12217162 | 0.63 | — | — | |
| SCHEMBL16236817 | 0.63 | EPHX1 (0.32) | — | |
| SCHEMBL18470818 | 0.61 | EPHX1 (0.31) | — | |
| SCHEMBL18480151 | 0.61 | EPHX1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417144-A4 | BIOCIDAL COMPOSITION | — | 1992-05-13 | — | — | EP | claimed |
| EP-0417144-A1 | BIOCIDAL COMPOSITION | GREAT LAKES CHEMICAL CORPORATION (US) | 1991-03-20 | — | — | EP | claimed |
| WO-1989010696-A1 | BIOCIDAL COMPOSITION | GREAT LAKES CHEMICAL CORPORATION (US) | 1989-11-16 | — | — | WO | claimed |