⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2325300 | 1.00 | — | — | |
| SCHEMBL2325288 | 1.00 | — | — | |
| SCHEMBL2321430 | 0.91 | MAPT (0.30) | — | |
| SCHEMBL2321436 | 0.91 | MAPT (0.30) | — | |
| SCHEMBL2321440 | 0.91 | MAPT (0.30) | — | |
| SCHEMBL1619371 | 0.90 | PTGIR (0.33) | — | |
| SCHEMBL1619366 | 0.90 | PTGIR (0.33) | — | |
| SCHEMBL1398012 | 0.78 | PTPN1 (0.32) | — | |
| SCHEMBL1398013 | 0.78 | PTPN1 (0.32) | — | |
| SCHEMBL1619247 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7994346-B2 | such as methyl 2-({(4S,5R)-5-[(1E,3E,7E)-(S)-10-(4-fluorophenoxy)-9-hydroxydeca-1,3,7-trien-5-yn-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}methoxy)acetate, useful in treating inflammatory and autoimmune disorders in humans | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-08-09 | — | — | US | claimed |
| US-20070105949-A1 | Intermediates for the preparation of lipoxin A4 analogs | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-10 | — | — | US | claimed |