⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74926 | 0.87 | — | — | |
| SCHEMBL30404213 | 0.87 | — | — | |
| SCHEMBL28106566 | 0.87 | — | — | |
| SCHEMBL4808123 | 0.82 | — | — | |
| SCHEMBL28452680 | 0.82 | — | — | |
| Rubidium SCHEMBL4810885 | 0.82 | — | — | |
| SCHEMBL27518306 | 0.82 | — | — | |
| SCHEMBL147779 | 0.82 | — | — | |
| SCHEMBL251328 | 0.82 | — | — | |
| Bromide SCHEMBL28096930 | 0.82 | — | — |
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-207958180-U | Prepare ethylene and the system of BTX | 北京华福工程有限公司 | 2018-10-12 | — | — | CN | disclosed |
| CN-107954818-A | Prepare ethene and the system and method for BTX | 北京华福工程有限公司 | 2018-04-24 | — | — | CN | disclosed |