⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22054774 | 0.74 | — | — | |
| SCHEMBL22421176 | 0.74 | — | — | |
| SCHEMBL24376336 | 0.70 | — | — | |
| SCHEMBL21575486 | 0.67 | — | — | |
| SCHEMBL18951854 | 0.67 | — | — | |
| SCHEMBL13346129 | 0.65 | — | — | |
| SCHEMBL20305917 | 0.65 | — | — | |
| SCHEMBL22221838 | 0.65 | — | — | |
| SCHEMBL23871117 | 0.64 | — | — | |
| SCHEMBL18721652 | 0.64 | GRIK1 (0.32) | — |
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-20220127255-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (GB) | 2022-04-28 | — | — | US | disclosed |