⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23468915 | 0.63 | — | — | |
| SCHEMBL20024617 | 0.62 | — | — | |
| SCHEMBL21910739 | 0.62 | — | — | |
| SCHEMBL20024636 | 0.57 | — | — | |
| SCHEMBL19430442 | 0.57 | — | — | |
| SCHEMBL24383874 | 0.54 | — | — | |
| SCHEMBL20808129 | 0.54 | — | — | |
| SCHEMBL18570096 | 0.54 | — | — | |
| SCHEMBL23815017 | 0.52 | — | — | |
| SCHEMBL24811753 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022268933-A1 | (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXY ALKYL ACIDS AND THEIR DERIVATIVES, THEIR SALTS AND THEIR USE AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2022-12-29 | — | — | WO | disclosed |
| WO-2022084278-A1 | 1-(PYRIDYL)-5-AZINYLPYRAZOLE DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH | BAYER AKTIENGESELLSCHAFT (DE) | 2022-04-28 | — | — | WO | disclosed |