⚠ 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 | |
|---|---|---|---|---|
| Charcoal, Activated SCHEMBL906642 | 0.82 | — | — | |
| Phosphine SCHEMBL30394363 | 0.82 | — | — | |
| Phosphine SCHEMBL30151380 | 0.82 | — | — | |
| Phosphine SCHEMBL3100765 | 0.82 | — | — | |
| Phosphine SCHEMBL1985098 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL30487563 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL31026360 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL30445227 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL31718144 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL29655495 | 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 |
|---|---|---|---|---|---|---|---|
| CN-111377966-B | Compound, application thereof and organic electroluminescent device comprising compound | 北京鼎材科技有限公司 | 2022-10-28 | — | — | CN | disclosed |