⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8388179 | 0.75 | ALOX15 (0.44) | — | |
| SCHEMBL109608 | 0.75 | — | — | |
| SCHEMBL17265277 | 0.74 | ALOX15 (0.34) | — | |
| SCHEMBL17265221 | 0.74 | ALOX15 (0.34) | — | |
| SCHEMBL1660268 | 0.73 | — | — | |
| SCHEMBL723067 | 0.72 | RNPEP (0.33) | — | |
| SCHEMBL3238652 | 0.72 | RNPEP (0.33) | — | |
| SCHEMBL10400776 | 0.71 | — | — | |
| SCHEMBL19630624 | 0.71 | — | — | |
| SCHEMBL8652860 | 0.71 | — | — |
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-0164075-B1 | 7-OXABICYCLOHEPTANE SUBSTITUTED THIO PROSTAGLANDIN ANALOGS | E.R. Squibb & Sons, Inc. (US) | 1990-09-12 | — | — | EP | disclosed |
| US-4560698-A | ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, BRONCHODILATOR, VASODILATION, ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1985-12-24 | — | — | US | disclosed |
| EP-0164075-A2 | 7-Oxabicycloheptane substituted thio prostaglandin analogs | E.R. Squibb & Sons, Inc. (US) | 1985-12-11 | — | — | EP | disclosed |