⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3885893 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL19849 | 0.77 | — | — | |
| SCHEMBL8434439 | 0.77 | TSHR (0.32) | — | |
| Ethylene SCHEMBL892064 | 0.76 | MAPK1 (0.42) | — | |
| SCHEMBL147241 | 0.75 | — | — | |
| SCHEMBL14000783 | 0.75 | — | — | |
| SCHEMBL5791362 | 0.75 | — | — | |
| SCHEMBL20608 | 0.74 | — | — | |
| SCHEMBL27501275 | 0.74 | — | — | |
| SCHEMBL27996634 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103242702-B | Uv-curing type ink jet compositions and record thing | 精工爱普生株式会社 | 2016-07-13 | — | — | CN | disclosed |