⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL893671 | 0.67 | — | — | |
| SCHEMBL3015507 | 0.67 | — | — | |
| SCHEMBL5985123 | 0.65 | — | — | |
| SCHEMBL14351531 | 0.65 | — | — | |
| SCHEMBL2755136 | 0.65 | — | — | |
| SCHEMBL6725024 | 0.63 | — | — | |
| SCHEMBL1896095 | 0.62 | — | — | |
| SCHEMBL1894420 | 0.62 | — | — | |
| SCHEMBL23421 | 0.62 | — | — | |
| SCHEMBL14351530 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1382248-B1 | Stabilized haloalkynyl microbicide compositions | ROHM & HAAS (US) | 2005-10-05 | — | — | EP | claimed |