⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10121187 | 0.69 | DEGS1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL8076876 | 0.67 | — | — | |
| SCHEMBL1487468 | 0.65 | — | — | |
| SCHEMBL1115989 | 0.65 | — | — | |
| SCHEMBL16637481 | 0.65 | — | — | |
| SCHEMBL13156750 | 0.61 | DEGS1 (0.33) | — | |
| SCHEMBL289192 | 0.58 | — | — | |
| SCHEMBL7513835 | 0.52 | — | — | |
| SCHEMBL21468768 | 0.52 | — | — | |
| SCHEMBL2885710 | 0.52 | — | — |
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-1486499-A1 | Endo-2,3-epoxy-7-oxabicylco[2.2.1]heptane-endo-5-carboxylic acid derivative | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2004-12-15 | — | — | EP | disclosed |
| US-6797832-B1 | Process for the production of 5-oxy-7-oxabicyclo [4.1.0] hept-3-ene-3-carboxylic acid esters | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2004-09-28 | — | — | US | disclosed |
| EP-1245569-A1 | PROCESS FOR THE PRODUCTION OF 5-OXY-7-OXABICYCLO- 4.1.0]HEPT-3-E NE-3-CARBOXYLIC ACID ESTERS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2002-10-02 | — | — | EP | disclosed |