⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3655904 | 1.00 | — | — | |
| SCHEMBL6956489 | 1.00 | — | — | |
| SCHEMBL28233309 | 0.92 | — | — | |
| SCHEMBL475622 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL2995602 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1159516 | 0.67 | — | — | |
| SCHEMBL27686974 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28507752 | 0.67 | — | — | |
| SCHEMBL3651666 | 0.65 | — | — | |
| SCHEMBL17840275 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023217989-A1 | ALKOXY HETEROARYL- CARBOXAMIDE OR THIOAMIDE COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2023-11-16 | — | — | WO | disclosed |