⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2696383 | 0.82 | — | — | |
| SCHEMBL454838 | 0.81 | — | — | |
| SCHEMBL20269672 | 0.79 | — | — | |
| SCHEMBL3656632 | 0.78 | — | — | |
| SCHEMBL2698337 | 0.78 | SLC6A2 (0.30) | — | |
| SCHEMBL6135005 | 0.75 | — | — | |
| SCHEMBL3659431 | 0.74 | — | — | |
| SCHEMBL134463 | 0.73 | — | — | |
| SCHEMBL9214288 | 0.72 | — | — | |
| SCHEMBL3952606 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5639776-A | CROP PESTICIDE; NONPHYTOTOXIC, KIDNEY BEANS, ORANGES | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1997-06-17 | — | — | US | disclosed |
| EP-0751130-A1 | 4,5-DIHYDROPYRAZOLE-5-THIONE DERIVATIVES AND ACARICIDE CONTAINING THE SAME | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1997-01-02 | — | — | EP | disclosed |