⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7783104 | 0.79 | — | — | |
| SCHEMBL7776571 | 0.79 | — | — | |
| SCHEMBL7007777 | 0.77 | — | — | |
| SCHEMBL21484044 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL354037 | 0.75 | — | — | |
| SCHEMBL21484043 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL354036 | 0.75 | — | — | |
| SCHEMBL7696270 | 0.73 | — | — | |
| SCHEMBL148127 | 0.73 | — | — | |
| SCHEMBL148128 | 0.73 | — | — |
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-3156031-B9 | POLYMERISABLE COMPOSITIONS BASED ON THERMALLY CLEAVABLE COMPOUNDS | IVOCLAR VIVADENT AG (LI) | 2020-03-18 | — | — | EP | disclosed |