⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL28403505 | 0.82 | — | — | |
| Fluoride SCHEMBL27757511 | 0.82 | — | — | |
| SCHEMBL27771 | 0.82 | — | — | |
| SCHEMBL10380539 | 0.82 | TSHR (1.00) | — | |
| SCHEMBL8853906 | 0.82 | TSHR (1.00) | — | |
| SCHEMBL975834 | 0.82 | — | — | |
| SCHEMBL16529231 | 0.82 | — | — | |
| Tetrahydrofuran SCHEMBL29225232 | 0.80 | — | — | |
| Fluoromethane SCHEMBL27842366 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL8878152 | 0.78 | — | — |
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-0113561-B1 | PROSTAGLANDIN INTERMEDIATES, THEIR SYNTHESIS AND THEIR CONVERSION TO PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |
| US-4549030-A | PROSTAGLANDIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1985-10-22 | — | — | US | disclosed |
| EP-0113561-A2 | Prostaglandin intermediates, their synthesis and their conversion to prostaglandins | THE UPJOHN COMPANY (US) | 1984-07-18 | — | — | EP | disclosed |