⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL630565 | 0.79 | — | — | |
| SCHEMBL5505244 | 0.79 | — | — | |
| SCHEMBL4150308 | 0.77 | — | — | |
| SCHEMBL14882527 | 0.77 | — | — | |
| SCHEMBL3060309 | 0.77 | — | — | |
| SCHEMBL5969890 | 0.76 | HCAR2 (0.36) | — | |
| SCHEMBL1797269 | 0.76 | — | — | |
| SCHEMBL9819411 | 0.76 | — | — | |
| SCHEMBL351138 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL444734 | 0.72 | MAPT (0.42) | — |
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 |