⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL979754 | 0.79 | — | — | |
| SCHEMBL17313414 | 0.78 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL441723 | 0.76 | — | — | |
| SCHEMBL12616582 | 0.74 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL5346800 | 0.73 | — | — | |
| SCHEMBL576599 | 0.70 | — | — | |
| SCHEMBL981185 | 0.70 | — | — | |
| SCHEMBL981175 | 0.70 | — | — | |
| SCHEMBL576474 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL13042955 | 0.67 | SMN1; SMN2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9951164-B2 | Non-ionic aryl ketone based polymeric photo-acid generators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-04-24 | — | — | US | disclosed |