⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13672239 | 0.80 | CNR1 (0.36) | — | |
| Pinoxaden SCHEMBL64416 | 0.80 | ELANE (0.33) | — | |
| Pinoxaden SCHEMBL29359629 | 0.80 | ELANE (0.33) | — | |
| SCHEMBL14405333 | 0.77 | CNR1 (0.30) | — | |
| Pinoxaden SCHEMBL17187932 | 0.76 | KMT2A (0.32) | — | |
| SCHEMBL10309324 | 0.76 | SSTR4 (0.32) | — | |
| SCHEMBL13527338 | 0.75 | CNR1 (0.34) | — | |
| Pinoxaden SCHEMBL19463955 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL22940089 | 0.68 | MEN1 (0.30) | — | |
| Pinoxaden SCHEMBL2373204 | 0.68 | KMT2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915199-B1 | Herbicidal composition | SYNGENTA CROP PROTECTION, INC. (US) | 2011-03-29 | — | — | US | disclosed |
| US-7915199-B1 | Herbicidal composition | SYNGENTA CROP PROTECTION, INC. (US) | 2011-03-29 | — | — | US | disclosed |