⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5860646 | 0.79 | — | — | |
| SCHEMBL7400438 | 0.76 | — | — | |
| SCHEMBL7551158 | 0.76 | — | — | |
| SCHEMBL3883972 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL14379966 | 0.74 | — | — | |
| SCHEMBL1100377 | 0.74 | — | — | |
| SCHEMBL13203577 | 0.72 | — | — | |
| SCHEMBL19483348 | 0.72 | — | — | |
| SCHEMBL250780 | 0.70 | — | — | |
| SCHEMBL9359726 | 0.70 | TSHR (0.48) | — |
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-0097000-A2 | Amine derivatives | Beecham Wuelfing GmbH & Co KG (DE) | 1983-12-28 | — | — | EP | disclosed |