⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3050040 | 0.73 | — | — | |
| SCHEMBL830324 | 0.70 | — | — | |
| SCHEMBL597762 | 0.67 | — | — | |
| SCHEMBL5888576 | 0.64 | — | — | |
| SCHEMBL18533140 | 0.64 | — | — | |
| SCHEMBL3857557 | 0.64 | — | — | |
| SCHEMBL6939906 | 0.64 | — | — | |
| SCHEMBL9849929 | 0.64 | — | — | |
| SCHEMBL4226099 | 0.64 | — | — | |
| SCHEMBL5888581 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008013618-A1 | PROCESS FOR PREPARING ALKYNE INTERMEDIATES FOR DENDRITIC POLYMERS | DENDRITIC NANOTECHNOLOGIES, INC. (US) | 2008-01-31 | — | — | WO | disclosed |
| EP-0888359-A1 | PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE | Novartis AG (CH) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033890-A1 | PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE | NOVARTIS AG (CH) | 1997-09-18 | — | — | WO | disclosed |
| EP-0675117-A1 | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM AND HAAS COMPANY (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5411933-A | Bromopropargyl quarternary ammonium compounds having antimicrobial activity | ROHM & HAAS COMPANY (US) | 1995-05-02 | — | — | US | disclosed |