⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17900975 | 1.00 | — | — | |
| SCHEMBL17901330 | 1.00 | — | — | |
| SCHEMBL17901021 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL20682925 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL20682971 | 0.81 | NAAA (0.36) | — | |
| SCHEMBL17901019 | 0.81 | NAAA (0.36) | — | |
| SCHEMBL20682885 | 0.79 | — | — | |
| SCHEMBL17900988 | 0.79 | — | — | |
| SCHEMBL17901324 | 0.79 | — | — | |
| SCHEMBL20682919 | 0.77 | CA1 (0.37) | — |
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-10188109-B2 | Picolinamide compounds with fungicidal activity | DOW AGROSCIENCES LLC (US) | 2019-01-29 | — | — | US | disclosed |