⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4684446 | 0.77 | — | — | |
| SCHEMBL17198890 | 0.68 | GRM5 (0.33) | — | |
| SCHEMBL23961252 | 0.67 | GFER (0.53) | — | |
| SCHEMBL7842653 | 0.65 | RAB9A (0.37) | — | |
| SCHEMBL91500 | 0.65 | — | — | |
| SCHEMBL15948524 | 0.65 | — | — | |
| SCHEMBL13129973 | 0.64 | GRM5 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28061208 | 0.64 | — | — | |
| SCHEMBL128316 | 0.63 | — | — | |
| SCHEMBL2487462 | 0.63 | — | — |
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-2020002090-A1 | SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | disclosed |