⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6481163 | 0.83 | POLB (0.33) | — | |
| SCHEMBL6490525 | 0.82 | — | — | |
| SCHEMBL6489367 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL6481669 | 0.78 | — | — | |
| SCHEMBL6492323 | 0.76 | POLB (0.32) | — | |
| SCHEMBL6482654 | 0.75 | POLB (0.32) | — | |
| SCHEMBL6479128 | 0.71 | HTR4 (0.32) | — | |
| SCHEMBL6490299 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL6490965 | 0.68 | — | — | |
| SCHEMBL6693297 | 0.68 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050090398-A1 | Novel tetrazole derivative useful as herbicides | YANAGI AKIHIKO (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-1476437-A1 | NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES | Bayer CropScience AG (DE) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003066607-A1 | NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2003-08-14 | — | — | WO | disclosed |