⚠ 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 | |
|---|---|---|---|---|
| Pyrithiobac SCHEMBL117279 | 0.91 | — | — | |
| Pyrithiobac SCHEMBL29370433 | 0.91 | — | — | |
| Pyrithiobac SCHEMBL4893925 | 0.91 | — | — | |
| Pyrithiobac SCHEMBL2975271 | 0.90 | — | — | |
| Pyrithiobac SCHEMBL546717 | 0.90 | — | — | |
| Pyrithiobac SCHEMBL2114064 | 0.90 | — | — | |
| Pyrithiobac SCHEMBL27612171 | 0.85 | — | — | |
| Pyrithiobac SCHEMBL27787532 | 0.85 | NPSR1 (0.44) | — | |
| Pyrithiobac SCHEMBL8993542 | 0.84 | — | — | |
| SCHEMBL13197223 | 0.84 | ALDH1A1 (0.49) | — |
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-0315889-B1 | Pyrimidine derivatives, processes for their production, and herbicidal method and compositions | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1996-07-17 | — | — | EP | disclosed |
| US-4923501-A | COTTON; NONPHYTOTOXIC | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1990-05-08 | — | — | US | disclosed |