⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28456964 | 0.83 | EPHX1 (0.34) | — | |
| SCHEMBL28568949 | 0.69 | — | — | |
| SCHEMBL29118449 | 0.67 | — | — | |
| SCHEMBL14693691 | 0.67 | — | — | |
| SCHEMBL132761 | 0.67 | — | — | |
| SCHEMBL3174268 | 0.67 | — | — | |
| SCHEMBL8010067 | 0.67 | — | — | |
| SCHEMBL8781239 | 0.65 | — | — | |
| SCHEMBL2554864 | 0.65 | — | — | |
| SCHEMBL6830376 | 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 |
|---|---|---|---|---|---|---|---|
| US-6746989-B1 | HAVE STRONG HERBICIDAL ACTIVITY AND BROAD ACTIVITY SPECTRUM WHEN APPLIED TO SOIL AND ON ABOVE-GROUND PARTS OF PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-08 | — | — | US | claimed |