⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11420165 | 1.00 | — | — | |
| SCHEMBL15186867 | 0.78 | — | — | |
| SCHEMBL11420052 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL11420047 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL9680794 | 0.72 | — | — | |
| SCHEMBL9680799 | 0.72 | — | — | |
| SCHEMBL4105554 | 0.72 | — | — | |
| SCHEMBL7976686 | 0.72 | — | — | |
| SCHEMBL12124420 | 0.72 | — | — | |
| SCHEMBL15206083 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4238623-A | 5,6-Benzo analogues of prostaglandin | MILES LABORATORIES, INC. (US) | 1980-12-09 | — | — | US | disclosed |
| US-4100352-A | Cyclohexanone-5,6-benzo analogues of prostaglandin | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4100353-A | 5,6-Benza analogues of prostaglandin F | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4100185-A | Cyclohexanone 5,6-benzo analogues of prostaglandin E | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4097516-A | 5,6-Benzo analogues of prostaglandin E | MILES LABORATORIES, INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4096336-A | OXYTOCICS, ANTIULCER, BRONCHODILATION, ANTICOAGULANT, HYPOTENSIVE | MILES LABORATORIES, INC. (US) | 1978-06-20 | — | — | US | disclosed |