⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL524541 | 0.87 | — | — | |
| SCHEMBL18435292 | 0.77 | — | — | |
| SCHEMBL5252593 | 0.75 | — | — | |
| SCHEMBL1987796 | 0.75 | — | — | |
| SCHEMBL28833152 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL8792388 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL1995513 | 0.73 | — | — | |
| SCHEMBL9855454 | 0.69 | — | — | |
| SCHEMBL14640085 | 0.69 | — | — | |
| SCHEMBL9855457 | 0.69 | — | — |
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-0060640-A1 | 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1982-09-22 | — | — | EP | disclosed |