⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL844668 | 0.88 | PTGS1 (0.32) | — | |
| SCHEMBL17766138 | 0.88 | PPM1B (0.31) | — | |
| SCHEMBL17766154 | 0.87 | PPM1B (0.30) | — | |
| SCHEMBL17766145 | 0.86 | — | — | |
| SCHEMBL17766099 | 0.86 | — | — | |
| SCHEMBL844811 | 0.85 | PTGS1 (0.33) | — | |
| SCHEMBL12098595 | 0.82 | PTGS1 (0.30) | — | |
| SCHEMBL188927 | 0.81 | PPP5C (0.30) | — | |
| SCHEMBL17766150 | 0.81 | PTGS1 (0.30) | — | |
| SCHEMBL4809100 | 0.81 | PTGS1 (0.30) | — |
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-105324407-A | Active energy ray-curable composition | KANEKA CORP | 2016-02-10 | — | — | CN | disclosed |