⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16605448 | 0.86 | NAAA (0.30) | — | |
| SCHEMBL17898791 | 0.83 | NAAA (0.32) | — | |
| SCHEMBL17898807 | 0.83 | NAAA (0.32) | — | |
| SCHEMBL16605459 | 0.82 | NAAA (0.32) | — | |
| SCHEMBL16605454 | 0.81 | CTSV (0.30) | — | |
| SCHEMBL16605430 | 0.78 | USP2 (0.30) | — | |
| SCHEMBL17898718 | 0.77 | NAAA (0.36) | — | |
| SCHEMBL17898706 | 0.76 | HTR7 (0.32) | — | |
| SCHEMBL17898790 | 0.76 | NAAA (0.35) | — | |
| SCHEMBL16605443 | 0.75 | HTR7 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180002320-A1 | USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2018-01-04 | — | — | US | disclosed |
| US-20180002319-A1 | MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | DOW AGROSCIENCES LLC (US) | 2018-01-04 | — | — | US | disclosed |
| WO-2016109291-A1 | USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2016-07-07 | — | — | WO | disclosed |
| WO-2016109290-A1 | MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | DOW AGROSCIENCES LLC (US) | 2016-07-07 | — | — | WO | disclosed |