⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13559080 | 0.79 | — | — | |
| SCHEMBL5360002 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL5366998 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL15717532 | 0.70 | — | — | |
| SCHEMBL15673809 | 0.68 | PIM1 (0.39) | — | |
| SCHEMBL13559082 | 0.68 | — | — | |
| SCHEMBL13559081 | 0.68 | — | — | |
| SCHEMBL13559083 | 0.67 | CYP4F2 (0.32) | — | |
| SCHEMBL13559084 | 0.67 | TTR (0.31) | — | |
| SCHEMBL13559079 | 0.66 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0355652-A2 | Polymers of substituted (2-haloalkoxy-1,1,2 trifluoroethoxy)styrene, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-02-28 | — | — | EP | disclosed |