⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9297044 | 1.00 | — | — | |
| SCHEMBL9296531 | 0.90 | PTGIR (0.30) | — | |
| SCHEMBL11397393 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL11190452 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL11400719 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL11400716 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL11400722 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL12190631 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL9296539 | 0.81 | PTGIR (0.30) | — | |
| SCHEMBL10609791 | 0.81 | PPARG (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5283349-A | Intermediates for isocarbacyclins | TEIJIN LIMITED (JP) | 1994-02-01 | — | — | US | claimed |
| EP-0427708-A1 | Isocarbacyclin derivatives | TEIJIN LIMITED (JP) | 1991-05-15 | — | — | EP | disclosed |