⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11981966 | 1.00 | — | — | |
| SCHEMBL11981982 | 0.95 | — | — | |
| SCHEMBL11981889 | 0.93 | — | — | |
| SCHEMBL11981878 | 0.91 | LMNA (0.30) | — | |
| SCHEMBL12298894 | 0.87 | CA2 (0.33) | — | |
| SCHEMBL13639136 | 0.87 | CA2 (0.33) | — | |
| SCHEMBL11981968 | 0.84 | PTGER2 (0.37) | — | |
| SCHEMBL2444823 | 0.84 | UGT2B7 (0.31) | — | |
| SCHEMBL13639137 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL11981979 | 0.81 | PTGER2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1481976-B1 | 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2012-11-07 | — | — | EP | disclosed |