⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11099742 | 1.00 | — | — | |
| SCHEMBL11110591 | 0.79 | — | — | |
| SCHEMBL11110586 | 0.79 | — | — | |
| SCHEMBL13997836 | 0.77 | — | — | |
| SCHEMBL20193635 | 0.73 | — | — | |
| SCHEMBL17356131 | 0.70 | — | — | |
| SCHEMBL17351695 | 0.70 | — | — | |
| SCHEMBL17351696 | 0.70 | — | — | |
| SCHEMBL17356128 | 0.70 | — | — | |
| SCHEMBL15243734 | 0.69 | — | — |
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-4429154-A | Fluorinated azomethine compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-31 | — | — | US | claimed |