⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1819552 | 0.59 | — | — | |
| SCHEMBL28206152 | 0.59 | — | — | |
| SCHEMBL28265361 | 0.56 | — | — | |
| SCHEMBL969789 | 0.55 | — | — | |
| SCHEMBL6050116 | 0.52 | — | — | |
| SCHEMBL22015479 | 0.51 | MGLL (0.35) | — | |
| SCHEMBL1259819 | 0.48 | — | — | |
| SCHEMBL11314419 | 0.47 | ADH1B (0.30) | — | |
| SCHEMBL21828788 | 0.47 | — | — | |
| SCHEMBL5065112 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105949140-B | A kind of diphenyl tetrazine diformamide compound and preparation and application | 浙江工业大学 | 2019-05-31 | — | — | CN | disclosed |
| CN-105949140-A | Diphenyl tetrazine dicarboamide compound, preparation and application | 浙江工业大学 | 2016-09-21 | — | — | CN | disclosed |