⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3645656 | 0.80 | — | — | |
| SCHEMBL31116552 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL3719047 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL890924 | 0.64 | — | — | |
| SCHEMBL325503 | 0.63 | — | — | |
| SCHEMBL36839 | 0.62 | — | — | |
| SCHEMBL1046193 | 0.62 | — | — | |
| SCHEMBL28427720 | 0.62 | TSHR (0.42) | — | |
| SCHEMBL28171680 | 0.62 | — | — | |
| SCHEMBL28172352 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0276204-A2 | Pyridine gametocides | Monsanto Company (US) | 1988-07-27 | — | — | EP | disclosed |
| US-4747871-A | 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides | MONSANTO COMPANY (US) | 1988-05-31 | — | — | US | disclosed |