⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17898669 | 0.96 | RIPK1 (0.30) | — | |
| SCHEMBL15373969 | 0.94 | — | — | |
| SCHEMBL17899007 | 0.94 | RIPK1 (0.32) | — | |
| SCHEMBL17899003 | 0.93 | — | — | |
| SCHEMBL17898881 | 0.92 | — | — | |
| SCHEMBL17898815 | 0.91 | CNR2 (0.32) | — | |
| SCHEMBL15860984 | 0.91 | CNR2 (0.31) | — | |
| SCHEMBL19628481 | 0.91 | RIPK1 (0.32) | — | |
| SCHEMBL15373970 | 0.90 | — | — | |
| SCHEMBL17898880 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016109290-A1 | MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | DOW AGROSCIENCES LLC (US) | 2016-07-07 | — | — | WO | disclosed |
| WO-2016109291-A1 | USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2016-07-07 | — | — | WO | disclosed |