⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21719365 | 0.70 | AOC3 (0.32) | — | |
| SCHEMBL13417342 | 0.67 | — | — | |
| SCHEMBL2679934 | 0.67 | — | — | |
| SCHEMBL30033075 | 0.67 | — | — | |
| SCHEMBL30404460 | 0.67 | — | — | |
| SCHEMBL14047624 | 0.65 | — | — | |
| SCHEMBL16014814 | 0.65 | — | — | |
| SCHEMBL2642686 | 0.65 | — | — | |
| SCHEMBL6135730 | 0.65 | — | — | |
| SCHEMBL3988658 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120202794-A1 | COMPOUNDS | PHARMASSET, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-20120202794-A1 | COMPOUNDS | PHARMASSET, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| CN-101785469-A | Herbicidal composition | BAYER CROPSCIENCE GMBH | 2010-07-28 | — | — | CN | disclosed |
| CN-1937923-A | Herbicidal composition | BAYER CROPSCIENCE GMBH (DE) | 2007-03-28 | — | — | CN | disclosed |