⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7882433 | 0.83 | ADH1B (0.38) | — | |
| SCHEMBL7883304 | 0.78 | ADH1B (0.52) | — | |
| SCHEMBL7883307 | 0.77 | ADH1B (0.55) | — | |
| SCHEMBL7882409 | 0.77 | ADH1B (0.55) | — | |
| SCHEMBL13350893 | 0.76 | ADH1B (0.33) | — | |
| SCHEMBL271892 | 0.73 | — | — | |
| SCHEMBL6514667 | 0.70 | — | — | |
| SCHEMBL1749565 | 0.70 | — | — | |
| SCHEMBL7875571 | 0.69 | — | — | |
| SCHEMBL14378299 | 0.68 | ADH1B (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333432-B1 | CONTROLLING PHYTOPATHOGENS | DOW AGROSCIENCES LLC | 2001-12-25 | — | — | US | claimed |