⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13045925 | 0.83 | — | — | |
| SCHEMBL19310973 | 0.81 | — | — | |
| SCHEMBL18199886 | 0.62 | — | — | |
| SCHEMBL24497428 | 0.62 | — | — | |
| SCHEMBL13437703 | 0.62 | — | — | |
| SCHEMBL24497404 | 0.62 | — | — | |
| SCHEMBL14269888 | 0.59 | TSHR (0.34) | — | |
| SCHEMBL10085694 | 0.56 | — | — | |
| Acetone SCHEMBL28634139 | 0.56 | — | — | |
| Acetic Acid SCHEMBL3810967 | 0.54 | — | — |
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-20100286147-A1 | FUNGICIDAL AMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2010-11-11 | — | — | US | disclosed |