⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5928324 | 0.84 | — | — | |
| SCHEMBL13663353 | 0.83 | — | — | |
| SCHEMBL31296151 | 0.81 | — | — | |
| P-Cresol SCHEMBL16707185 | 0.73 | — | — | |
| P-Cresol SCHEMBL29387264 | 0.71 | — | — | |
| SCHEMBL4185317 | 0.67 | — | — | |
| M-Xylene SCHEMBL17836908 | 0.67 | — | — | |
| Orcinol SCHEMBL30001411 | 0.67 | — | — | |
| P-Xylene SCHEMBL2137209 | 0.63 | — | — | |
| SCHEMBL16707198 | 0.63 | — | — |
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-114507190-A | Deuterated 1, 4-benzodiazepine-2, 5-diketone compound and application thereof | 宁波康柏睿格医药科技有限公司 | 2022-05-17 | — | — | CN | disclosed |