⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23655437 | 0.91 | PTGIR (0.32) | — | |
| SCHEMBL21258676 | 0.87 | PTGIR (0.38) | — | |
| SCHEMBL21258716 | 0.83 | HSD17B10 (0.39) | — | |
| SCHEMBL21258660 | 0.82 | LTC4S (0.33) | — | |
| SCHEMBL21258925 | 0.81 | PTGIR (0.35) | — | |
| SCHEMBL21258899 | 0.80 | PTGIR (0.39) | — | |
| SCHEMBL21258940 | 0.80 | PTGIR (0.35) | — | |
| SCHEMBL21258877 | 0.79 | PTGIR (0.37) | — | |
| SCHEMBL21258681 | 0.78 | CKS1B (0.34) | — | |
| SCHEMBL21258828 | 0.78 | PTGIR (0.37) | — |
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-3851106-A1 | MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST | Chinese PLA General Hospital (CN) | 2021-07-21 | — | — | EP | disclosed |