⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27459564 | 0.74 | — | — | |
| SCHEMBL27473060 | 0.72 | — | — | |
| SCHEMBL27938865 | 0.71 | — | — | |
| SCHEMBL27390773 | 0.71 | — | — | |
| SCHEMBL27293180 | 0.69 | — | — | |
| SCHEMBL27469074 | 0.69 | — | — | |
| SCHEMBL28305120 | 0.69 | — | — | |
| SCHEMBL28305188 | 0.69 | — | — | |
| SCHEMBL28801181 | 0.68 | — | — | |
| SCHEMBL27909225 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110023302-A | 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors | 拜耳股份有限公司 | 2019-07-16 | — | — | CN | disclosed |