⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10768520 | 0.80 | — | — | |
| SCHEMBL9843858 | 0.80 | — | — | |
| SCHEMBL447796 | 0.80 | — | — | |
| SCHEMBL27511195 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL28015660 | 0.78 | PPARA (0.43) | — | |
| SCHEMBL7398814 | 0.78 | — | — | |
| SCHEMBL6056077 | 0.78 | — | — | |
| Bromide SCHEMBL28346228 | 0.78 | PPARA (0.43) | — | |
| SCHEMBL27314713 | 0.77 | MGAM (0.36) | — | |
| SCHEMBL2185057 | 0.76 | PPARA (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105007732-B | It is used as the big ring picolinamide of fungicide | 美国陶氏益农公司 | 2017-07-14 | — | — | CN | disclosed |