⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102225 | 0.91 | — | — | |
| SCHEMBL7104436 | 0.90 | AR (0.35) | — | |
| SCHEMBL7101227 | 0.84 | NOTUM (0.31) | — | |
| SCHEMBL7097335 | 0.83 | NR1H2 (0.37) | — | |
| SCHEMBL7101205 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL7100147 | 0.80 | HSD11B1 (0.34) | — | |
| SCHEMBL6017895 | 0.79 | DHFR (0.39) | — | |
| SCHEMBL28749688 | 0.79 | AOC3 (0.39) | — | |
| SCHEMBL6425555 | 0.79 | — | — | |
| SCHEMBL6051253 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1326606-A2 | EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS | PFIZER PHARMACEUTICALS INC. (JP) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032422-A2 | EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS | PFIZER PHARMACEUTICALS INC. (JP) | 2002-04-25 | — | — | WO | disclosed |