⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10915058 | 0.86 | — | — | |
| SCHEMBL11341947 | 0.83 | — | — | |
| SCHEMBL11342471 | 0.78 | — | — | |
| SCHEMBL7545239 | 0.74 | — | — | |
| SCHEMBL10717358 | 0.74 | — | — | |
| SCHEMBL8104791 | 0.74 | — | — | |
| SCHEMBL29053266 | 0.72 | — | — | |
| SCHEMBL5469769 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL10915698 | 0.70 | — | — | |
| SCHEMBL11340012 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4297516-A | PROSTAGLANDINS | AMERICAN CYANAMID COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4254036-A | 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series | AMERICAN CYANAMID COMPANY (US) | 1981-03-03 | — | — | US | disclosed |
| US-4227011-A | 15-Deoxy-16-hydroxy-16-chloromethyl or bromomethyl prostaglandins of the E and F series | AMERICAN CYANAMID COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| EP-0015056-A1 | 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series | AMERICAN CYANAMID COMPANY (US) | 1980-09-03 | — | — | EP | disclosed |