⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22992139 | 0.83 | RAB9A (0.36) | — | |
| SCHEMBL19773776 | 0.82 | CNR1 (0.36) | — | |
| SCHEMBL21343679 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL22992126 | 0.80 | KDM4E (0.38) | — | |
| SCHEMBL22992154 | 0.79 | RECQL (0.42) | — | |
| SCHEMBL22992147 | 0.79 | CNR1 (0.32) | — | |
| SCHEMBL24426578 | 0.79 | HSP90AA1 (0.43) | — | |
| SCHEMBL21285242 | 0.78 | EPHX2 (0.33) | — | |
| SCHEMBL21344668 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL22992039 | 0.78 | KDM4E (0.38) | — |
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-2019170745-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-09-12 | — | — | WO | disclosed |