⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1902745 | 0.79 | — | — | |
| SCHEMBL27837414 | 0.78 | — | — | |
| SCHEMBL28654287 | 0.75 | — | — | |
| SCHEMBL1563009 | 0.73 | — | — | |
| SCHEMBL6645773 | 0.73 | CHRNB2 (0.37) | — | |
| SCHEMBL2821988 | 0.73 | — | — | |
| SCHEMBL10882066 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL9707335 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL6139622 | 0.72 | EPHX1 (0.39) | — | |
| SCHEMBL186909 | 0.71 | — | — |
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-0196184-B1 | ARYL DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-09-16 | — | — | EP | disclosed |