⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10447293 | 0.87 | — | — | |
| SCHEMBL9527364 | 0.87 | — | — | |
| SCHEMBL16831456 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL10345955 | 0.72 | — | — | |
| SCHEMBL10601999 | 0.71 | MET (0.32) | — | |
| SCHEMBL28577488 | 0.71 | — | — | |
| SCHEMBL31476969 | 0.71 | — | — | |
| SCHEMBL18834318 | 0.69 | — | — | |
| SCHEMBL21439432 | 0.69 | OSBP (0.30) | — | |
| SCHEMBL8872651 | 0.68 | OSBP (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0455899-A1 | Prostaglandin I analogue | Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) | 1991-11-13 | — | — | EP | disclosed |
| EP-0134153-B1 | Bicyclo[3.3.0]octane derivative and preparation thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1989-04-19 | — | — | EP | disclosed |