⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4591427 | 0.64 | MAPT (0.38) | — | |
| SCHEMBL5336897 | 0.56 | CA1 (0.40) | — | |
| SCHEMBL7627654 | 0.55 | ALDH1A1 (0.39) | — | |
| SCHEMBL5263604 | 0.54 | MAPT (0.46) | — | |
| SCHEMBL5812083 | 0.52 | — | — | |
| SCHEMBL510704 | 0.52 | TRIM24 (0.44) | — | |
| SCHEMBL4263287 | 0.51 | — | — | |
| SCHEMBL9424673 | 0.51 | ALDH1A1 (0.47) | — | |
| SCHEMBL1515508 | 0.51 | — | — | |
| SCHEMBL15829440 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2429979-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010133232-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-11-25 | — | — | WO | disclosed |