⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1866498 | 0.95 | — | — | |
| SCHEMBL186425 | 0.95 | — | — | |
| SCHEMBL231573 | 0.89 | — | — | |
| SCHEMBL6105258 | 0.84 | — | — | |
| SCHEMBL6105256 | 0.80 | — | — | |
| Lithium Ion SCHEMBL186424 | 0.80 | — | — | |
| Bromide SCHEMBL4157567 | 0.76 | — | — | |
| Iodide SCHEMBL9420290 | 0.73 | — | — | |
| SCHEMBL4157571 | 0.73 | — | — | |
| SCHEMBL6290041 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4479966-A | 6,9-Methano-PGI2 analogues | ONO PHARMACEUTICAL COMPANY, LTD. (JP) | 1984-10-30 | — | — | US | disclosed |