⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27691239 | 0.81 | — | — | |
| SCHEMBL28284534 | 0.81 | — | — | |
| SCHEMBL7767704 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL19812445 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL891468 | 0.73 | — | — | |
| SCHEMBL30026304 | 0.71 | — | — | |
| SCHEMBL28209637 | 0.71 | — | — | |
| SCHEMBL8940902 | 0.71 | — | — | |
| SCHEMBL27964446 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL27660613 | 0.70 | TSHR (0.41) | — |
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-2023099381-A1 | (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXYTHIO ALKYL ACIDS AND DERIVATIVES THEREOF, THEIR SALTS AND THEIR USE AS HERBICIDAL ACTIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-08 | — | — | WO | disclosed |