⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3421402 | 0.98 | — | — | |
| SCHEMBL21057035 | 0.85 | — | — | |
| SCHEMBL20185915 | 0.69 | POLB (0.32) | — | |
| SCHEMBL2521267 | 0.68 | — | — | |
| SCHEMBL22730726 | 0.68 | DRD2 (0.37) | — | |
| SCHEMBL1986436 | 0.64 | — | — | |
| SCHEMBL21602998 | 0.63 | — | — | |
| SCHEMBL10113114 | 0.63 | — | — | |
| SCHEMBL954882 | 0.63 | — | — | |
| SCHEMBL3422552 | 0.61 | — | — |
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-2020002083-A1 | SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | disclosed |