⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9747332 | 0.82 | LMNA (0.41) | — | |
| SCHEMBL28119396 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL6073282 | 0.77 | LMNA (0.37) | — | |
| SCHEMBL4233335 | 0.77 | — | — | |
| SCHEMBL2552114 | 0.74 | — | — | |
| SCHEMBL15834912 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL27661464 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL27498052 | 0.74 | — | — | |
| SCHEMBL220078 | 0.73 | — | — | |
| SCHEMBL12059836 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106986961-A | A kind of preparation method of vinylene carbonate purification aids | 王金桢 | 2017-07-28 | — | — | CN | claimed |
| CN-106179274-A | A kind of preparation method of vinylene carbonate adsorbent | 王金桢 | 2016-12-07 | — | — | CN | claimed |
| CN-106084544-A | A kind of imvite modified polyvinyl chloride film | 安庆市天虹新型材料科技有限公司 | 2016-11-09 | — | — | CN | disclosed |