⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL1227609 | 0.85 | — | — | |
| Propene SCHEMBL27512018 | 0.85 | — | — | |
| Vinyl Chloride SCHEMBL27951730 | 0.82 | — | — | |
| Ethylene SCHEMBL27290856 | 0.81 | — | — | |
| Fluoromethane SCHEMBL27360087 | 0.81 | — | — | |
| SCHEMBL109023 | 0.80 | — | — | |
| Butadiene SCHEMBL8370801 | 0.78 | — | — | |
| SCHEMBL28008368 | 0.78 | — | — | |
| Ethylene SCHEMBL28074749 | 0.78 | — | — | |
| Methane SCHEMBL1116289 | 0.77 | — | — |
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-107428891-A | Curable composition | 施敏打硬株式会社 | 2017-12-01 | — | — | CN | disclosed |
| CN-105392845-A | Photocurable composition | CEMEDINE CO LTD | 2016-03-09 | — | — | CN | disclosed |