⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2184630 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL26388371 | 0.76 | — | — | |
| SCHEMBL15884297 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL17786799 | 0.73 | GAA (0.40) | — | |
| SCHEMBL10665972 | 0.73 | GAA (0.40) | — | |
| Hydrochloric Acid SCHEMBL10665980 | 0.72 | GAA (0.39) | — | |
| SCHEMBL2183233 | 0.71 | L3MBTL1 (0.42) | — | |
| SCHEMBL15884331 | 0.66 | UCHL1 (0.33) | — | |
| SCHEMBL22912547 | 0.65 | RAB9A (0.37) | — | |
| SCHEMBL19313324 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4230621-A1 | SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS | Bayer AG (DE) | 2023-08-23 | — | — | EP | disclosed |