⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960776 | 1.00 | — | — | |
| SCHEMBL8960328 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL8960318 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL28758067 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL1453742 | 0.76 | — | — | |
| SCHEMBL1453744 | 0.76 | — | — | |
| SCHEMBL28367007 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL1191641 | 0.73 | — | — | |
| SCHEMBL1191642 | 0.73 | — | — | |
| SCHEMBL3162528 | 0.72 | — | — |
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 |