⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27672185 | 0.63 | FFAR3 (0.32) | — | |
| SCHEMBL3516271 | 0.59 | TSHR (0.37) | — | |
| SCHEMBL24471489 | 0.58 | — | — | |
| Potassium SCHEMBL31405453 | 0.56 | FFAR3 (0.32) | — | |
| SCHEMBL30970944 | 0.56 | — | — | |
| SCHEMBL97281 | 0.51 | — | — | |
| SCHEMBL6445455 | 0.51 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL27817202 | 0.49 | LMNA (0.83) | — | |
| SCHEMBL29255 | 0.48 | ALDH1A1 (0.46) | — | |
| SCHEMBL168369 | 0.48 | — | — |
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-104428331-A | Active energy ray-polymerizable resin composition and laminate obtained using resin composition | TOYO INK SC HOLDINGS CO LTD | 2015-03-18 | — | — | CN | disclosed |