⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8303739 | 0.97 | — | — | |
| SCHEMBL2305406 | 0.67 | — | — | |
| SCHEMBL422305 | 0.65 | — | — | |
| SCHEMBL771882 | 0.65 | CES2 (0.43) | — | |
| SCHEMBL2016588 | 0.65 | CES2 (0.43) | — | |
| SCHEMBL14164313 | 0.65 | — | — | |
| SCHEMBL216983 | 0.61 | — | — | |
| SCHEMBL1718411 | 0.61 | CES2 (0.45) | — | |
| SCHEMBL10706711 | 0.61 | HSD17B1 (0.56) | — | |
| SCHEMBL9454753 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0032432-B1 | PROSTANOID COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS | GLAXO GROUP LIMITED (GB) | 1985-07-24 | — | — | EP | disclosed |
| US-4438111-A | PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA | GLAXO GROUP LIMITED (GB) | 1984-03-20 | — | — | US | disclosed |
| EP-0032432-A1 | Prostanoid compounds and their preparation and pharmaceutical formulations | GLAXO GROUP LIMITED (GB) | 1981-07-22 | — | — | EP | disclosed |