⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10138648 | 0.79 | — | — | |
| SCHEMBL18699703 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL18699695 | 0.75 | — | — | |
| SCHEMBL23195409 | 0.72 | — | — | |
| SCHEMBL13774854 | 0.70 | — | — | |
| SCHEMBL10244731 | 0.70 | — | — | |
| Water SCHEMBL28557869 | 0.68 | CHRNB2 (0.47) | — | |
| SCHEMBL16437482 | 0.67 | MAPT (0.36) | — | |
| SCHEMBL21342531 | 0.67 | MAPT (0.41) | — | |
| SCHEMBL10304886 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765636-B2 | Synergistic fungicidal active compound combinations containing a carboxamide, an azole, a second azole or a strobilurin | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20130053241-A1 | Synergistic Fungicidal Active Compound Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-28 | — | — | US | disclosed |