⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17514064 | 0.79 | — | — | |
| SCHEMBL9502819 | 0.76 | — | — | |
| SCHEMBL27497498 | 0.75 | — | — | |
| SCHEMBL25661015 | 0.74 | — | — | |
| SCHEMBL10420064 | 0.72 | — | — | |
| SCHEMBL9724411 | 0.71 | — | — | |
| SCHEMBL8663764 | 0.71 | — | — | |
| SCHEMBL30987023 | 0.71 | — | — | |
| Vinyl Ether SCHEMBL3166903 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL3133891 | 0.70 | — | — |
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-114341732-A | Liquid hybrid uv/vis radiation curable resin compositions for additive manufacturing | 科思创(荷兰)有限公司 | 2022-04-12 | — | — | CN | disclosed |
| US-20100004418-A1 | Method for the Production of Superabsorbers | BASF SE (DE) | 2010-01-07 | — | — | US | disclosed |