⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11270369 | 1.00 | — | — | |
| SCHEMBL10679873 | 0.84 | — | — | |
| SCHEMBL10537419 | 0.84 | — | — | |
| SCHEMBL11262252 | 0.77 | — | — | |
| SCHEMBL11451363 | 0.74 | — | — | |
| SCHEMBL9798588 | 0.72 | — | — | |
| SCHEMBL6653273 | 0.72 | — | — | |
| SCHEMBL9687168 | 0.72 | — | — | |
| SCHEMBL9687174 | 0.72 | — | — | |
| SCHEMBL10353155 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4322546-A | HYPOTENSIVE AGENTS, ANTISECRETORY AGENTS, ANTIFERTILITY AGENTS, BRONCHODILATOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1982-03-30 | — | — | US | disclosed |
| 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-4233453-A | HYPOTENSIVES, ANTISECRETORIES, BRONCHODILATORS, FERTILITY CONTROL | AMERICAN CYANAMID COMPANY (US) | 1980-11-11 | — | — | 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 |