⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904347 | 0.88 | CA1 (0.31) | — | |
| SCHEMBL19266179 | 0.85 | — | — | |
| SCHEMBL21574561 | 0.82 | — | — | |
| SCHEMBL12157371 | 0.81 | — | — | |
| SCHEMBL92306 | 0.81 | — | — | |
| SCHEMBL20691732 | 0.79 | — | — | |
| SCHEMBL12157372 | 0.79 | — | — | |
| SCHEMBL383996 | 0.77 | PRKCA (0.34) | — | |
| SCHEMBL19135829 | 0.77 | PRKCA (0.32) | — | |
| SCHEMBL972923 | 0.76 | PRKCA (0.33) | — |
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-2256551-B1 | Pattern forming process using a chemically amplified resist composition | SHINETSU CHEMICAL CO (JP) | 2015-05-13 | — | — | EP | disclosed |