⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6219513 | 0.79 | GRIK1 (0.33) | — | |
| SCHEMBL6217982 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL6219140 | 0.78 | BAZ2B (0.41) | — | |
| SCHEMBL10481502 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL16793130 | 0.75 | POLB (0.37) | — | |
| SCHEMBL30940103 | 0.75 | KMO (0.32) | — | |
| SCHEMBL9312250 | 0.74 | KMO (0.32) | — | |
| SCHEMBL8784413 | 0.73 | BRD4 (0.32) | — | |
| SCHEMBL8592597 | 0.72 | NOTUM (0.35) | — | |
| SCHEMBL2413504 | 0.72 | SCN9A (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004008837-A9 | NOVEL BENZOHYDRAZIDE DERIVATIVES AS HERBICIDES AND DESICCANT COMPOSITIONS CONTANING THEM | ISHIHARA SANGYO KAISHA (JP) | 2005-08-04 | — | — | WO | disclosed |
| EP-1539705-A2 | NOVEL BENZOHYDRAZIDE DERIVATIVES AS HERBICIDES AND DESICCANT COMPOSITIONS CONTANING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004008837-A2 | NOVEL BENZOHYDRAZIDE DERIVATIVES AS HERBICIDES AND DESICCANT COMPOSITIONS CONTANING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2004-01-29 | — | — | WO | disclosed |