⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7141195 | 0.92 | — | — | |
| SCHEMBL7141198 | 0.92 | — | — | |
| SCHEMBL7138542 | 0.90 | — | — | |
| SCHEMBL7138546 | 0.90 | — | — | |
| SCHEMBL8492365 | 0.89 | ALDH1A1 (0.34) | — | |
| SCHEMBL13044543 | 0.82 | — | — | |
| SCHEMBL2182098 | 0.82 | — | — | |
| SCHEMBL7992319 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL2179467 | 0.77 | — | — | |
| SCHEMBL96256 | 0.77 | — | — |
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-5767120-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; TREATMENT FOR SEPTIC SHOCK | SCHERING CORPORATION (US) | 1998-06-16 | — | — | US | disclosed |