⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22350142 | 0.80 | PDE4D (0.41) | — | |
| SCHEMBL11062649 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL10962913 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL10962912 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL9317572 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL11074266 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL11062651 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL9317574 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL11218624 | 0.79 | PTGIR (0.36) | — | |
| SCHEMBL11074272 | 0.79 | PTGIR (0.36) | — |
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-0134153-A2 | Bicyclo[3.3.0]octane derivative and preparation thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1985-03-13 | — | — | EP | disclosed |