⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2120768 | 0.79 | GRIK1 (0.31) | — | |
| SCHEMBL2118983 | 0.77 | — | — | |
| SCHEMBL2568081 | 0.76 | — | — | |
| SCHEMBL2122824 | 0.74 | — | — | |
| SCHEMBL2120747 | 0.74 | — | — | |
| SCHEMBL8960662 | 0.72 | — | — | |
| SCHEMBL2120790 | 0.72 | — | — | |
| SCHEMBL8960902 | 0.71 | — | — | |
| SCHEMBL28460532 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL2120963 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0693284-A1 | PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT | TEIJIN LIMITED (JP) | 1996-01-24 | — | — | EP | disclosed |