⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13217963 | 1.00 | — | — | |
| SCHEMBL3025764 | 1.00 | — | — | |
| SCHEMBL18497769 | 0.83 | IDUA (0.31) | — | |
| SCHEMBL7506198 | 0.82 | — | — | |
| Bromide SCHEMBL8590578 | 0.81 | — | — | |
| SCHEMBL5937737 | 0.77 | — | — | |
| SCHEMBL5937749 | 0.77 | — | — | |
| SCHEMBL5937743 | 0.77 | — | — | |
| SCHEMBL8135995 | 0.74 | — | — | |
| SCHEMBL18902328 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992018477-A1 | AZABICYCLOHEPTANONE | CHIROS LIMITED (GB) | 1992-10-29 | — | — | WO | disclosed |