⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7074320 | 0.69 | — | — | |
| SCHEMBL308794 | 0.67 | — | — | |
| SCHEMBL3540816 | 0.65 | CSNK1A1 (0.42) | — | |
| SCHEMBL20401884 | 0.62 | — | — | |
| SCHEMBL12519252 | 0.60 | HSP90AA1 (0.36) | — | |
| SCHEMBL31708457 | 0.58 | ADRA1A (0.33) | — | |
| SCHEMBL4908021 | 0.51 | — | — | |
| SCHEMBL10684723 | 0.50 | — | — | |
| SCHEMBL6056901 | 0.49 | — | — | |
| SCHEMBL4796315 | 0.49 | — | — |
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-0318096-A1 | Process for the preparation of 3-mercapto-5-amino-(1H)-1,2,4-triazole | DowElanco (US) | 1989-05-31 | — | — | EP | claimed |
| EP-0318096-A1 | Process for the preparation of 3-mercapto-5-amino-(1H)-1,2,4-triazole | DowElanco (US) | 1989-05-31 | — | — | EP | disclosed |