⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7966294 | 0.84 | HCAR2 (0.39) | — | |
| SCHEMBL7966284 | 0.75 | HCAR2 (0.37) | — | |
| SCHEMBL6026477 | 0.66 | CHRNA1 (0.39) | — | |
| SCHEMBL7969034 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL6927977 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL7593441 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL7969246 | 0.63 | EGFR (0.32) | — | |
| SCHEMBL6027361 | 0.62 | HCAR2 (0.38) | — | |
| SCHEMBL7965561 | 0.61 | PTGS2 (0.43) | — | |
| SCHEMBL6926535 | 0.61 | HCAR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265436-B1 | ANTIINFLAMMATORY AGENTS | OXIS THERAPEUTICS INC. | 2001-07-24 | — | — | US | disclosed |