⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4784308 | 0.86 | — | — | |
| SCHEMBL28578844 | 0.76 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL4786191 | 0.75 | — | — | |
| SCHEMBL4785749 | 0.75 | — | — | |
| SCHEMBL1412518 | 0.75 | — | — | |
| SCHEMBL4800482 | 0.74 | PARG (0.31) | — | |
| SCHEMBL4786249 | 0.74 | — | — | |
| SCHEMBL4782728 | 0.73 | — | — | |
| SCHEMBL4786032 | 0.73 | — | — | |
| SCHEMBL12998976 | 0.72 | ALDH1A1 (0.34) | — |
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-2008074991-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |