⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5505249 | 0.79 | — | — | |
| SCHEMBL3060309 | 0.79 | — | — | |
| SCHEMBL1797269 | 0.77 | — | — | |
| SCHEMBL9819411 | 0.77 | — | — | |
| SCHEMBL1190827 | 0.73 | CHRNA4 (0.50) | — | |
| SCHEMBL9446188 | 0.73 | EPHX2 (0.43) | — | |
| SCHEMBL351138 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL4134670 | 0.69 | NOTUM (0.54) | — | |
| SCHEMBL8909993 | 0.69 | HCAR2 (0.34) | — | |
| SCHEMBL8878902 | 0.68 | MAPT (0.49) | — |
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-1740547-A1 | PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005100321-A1 | PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-10-27 | — | — | WO | disclosed |