⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15444321 | 0.87 | SIGMAR1 (0.41) | — | |
| SCHEMBL18461204 | 0.75 | SIGMAR1 (0.40) | — | |
| SCHEMBL11242708 | 0.72 | — | — | |
| SCHEMBL13950258 | 0.69 | — | — | |
| SCHEMBL2567260 | 0.69 | — | — | |
| SCHEMBL19729419 | 0.67 | — | — | |
| SCHEMBL50767 | 0.67 | — | — | |
| SCHEMBL11662832 | 0.67 | CES2 (0.39) | — | |
| SCHEMBL20406358 | 0.67 | SIGMAR1 (0.37) | — | |
| SCHEMBL15373691 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140106968-A1 | SUBSTITUTED 1,2,4-TRIAZINE-3,5-DIONES AS HERBICIDES | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-04-17 | — | — | US | disclosed |