⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9647404 | 0.90 | — | — | |
| SCHEMBL9647544 | 0.85 | — | — | |
| SCHEMBL9648329 | 0.84 | — | — | |
| SCHEMBL9645358 | 0.83 | — | — | |
| SCHEMBL9477073 | 0.83 | — | — | |
| SCHEMBL9477086 | 0.83 | — | — | |
| SCHEMBL9477067 | 0.83 | — | — | |
| SCHEMBL9477078 | 0.83 | — | — | |
| SCHEMBL9477072 | 0.83 | — | — | |
| SCHEMBL9645549 | 0.81 | — | — |
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-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |