⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9561607 | 0.86 | — | — | |
| SCHEMBL2945619 | 0.81 | — | — | |
| SCHEMBL6057948 | 0.78 | — | — | |
| SCHEMBL942140 | 0.75 | — | — | |
| SCHEMBL1359600 | 0.74 | — | — | |
| SCHEMBL4826933 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL28451940 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL28988598 | 0.73 | — | — | |
| SCHEMBL25322013 | 0.72 | — | — | |
| SCHEMBL5146416 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5239027-A | Optical fibers | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-08-24 | — | — | US | disclosed |
| US-5187769-A | Comonomers of fluorinated acrylates, deuterium-substituted fluoroacrylates forming core/cladding structure of optical fibers; high glass transition temperature | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-02-16 | — | — | US | disclosed |