⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6603561 | 0.90 | KDM4E (0.34) | — | |
| SCHEMBL6608504 | 0.85 | KMT2A (0.41) | — | |
| SCHEMBL6604522 | 0.84 | — | — | |
| SCHEMBL6603934 | 0.84 | — | — | |
| SCHEMBL4242774 | 0.76 | KMT2A (0.35) | — | |
| SCHEMBL6608753 | 0.75 | IKBKB (0.32) | — | |
| SCHEMBL6604193 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL6604569 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL6606589 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL6495177 | 0.68 | CYP1A2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |