⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960242 | 1.00 | — | — | |
| SCHEMBL8960533 | 0.86 | — | — | |
| SCHEMBL8960528 | 0.86 | — | — | |
| SCHEMBL2120170 | 0.79 | — | — | |
| SCHEMBL2120172 | 0.79 | — | — | |
| SCHEMBL8960545 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL8960537 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL24026416 | 0.75 | — | — | |
| SCHEMBL12173802 | 0.75 | PPARG (0.32) | — | |
| SCHEMBL8960700 | 0.74 | — | — |
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 |