⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9667467 | 0.79 | — | — | |
| SCHEMBL28044644 | 0.76 | — | — | |
| SCHEMBL7817839 | 0.75 | — | — | |
| SCHEMBL9831227 | 0.71 | — | — | |
| SCHEMBL27514366 | 0.69 | CYP2D6 (0.32) | — | |
| SCHEMBL6939492 | 0.68 | APLNR (0.33) | — | |
| SCHEMBL24496160 | 0.66 | — | — | |
| SCHEMBL18585220 | 0.66 | — | — | |
| SCHEMBL15762026 | 0.65 | — | — | |
| SCHEMBL10920331 | 0.64 | — | — |
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-0730408-A1 | TRIAZOLE PHOSPHONATE PESTICIDES | AgrEvo UK Limited (GB) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014385-A1 | TRIAZOLE PHOSPHONATE PESTICIDES | AGREVO UK LIMITED (GB) | 1995-06-01 | — | — | WO | disclosed |