⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5748868 | 0.83 | — | — | |
| SCHEMBL7823505 | 0.83 | — | — | |
| SCHEMBL25298032 | 0.78 | — | — | |
| SCHEMBL1515565 | 0.77 | — | — | |
| SCHEMBL10002503 | 0.77 | — | — | |
| SCHEMBL7825590 | 0.77 | CES2 (0.43) | — | |
| SCHEMBL24288795 | 0.77 | NAALAD2 (0.48) | — | |
| SCHEMBL7825586 | 0.77 | CES2 (0.43) | — | |
| SCHEMBL1907188 | 0.75 | CES2 (0.52) | — | |
| SCHEMBL3725377 | 0.75 | CES2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101018770-A | PGD2 receptor antagonists for the treatment of inflammatory diseases | MILLENNIUM PHARM INC (US) | 2007-08-15 | — | — | CN | disclosed |