⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14971383 | 1.00 | ALDH1A1 (0.50) | — | |
| SCHEMBL2490273 | 0.90 | — | — | |
| SCHEMBL968388 | 0.90 | — | — | |
| SCHEMBL968386 | 0.90 | — | — | |
| Bromide SCHEMBL6248454 | 0.87 | — | — | |
| Bromide SCHEMBL6248451 | 0.87 | — | — | |
| SCHEMBL5909460 | 0.83 | TSHR (0.73) | — | |
| SCHEMBL5909458 | 0.83 | TSHR (0.73) | — | |
| SCHEMBL8581303 | 0.83 | — | — | |
| SCHEMBL17062956 | 0.83 | ALDH1A1 (0.50) | — |
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-4515727-A | ANTIALLERGY, ANTINFLAMMATORY | SYNTEX (U.S.A.) INC. (US) | 1985-05-07 | — | — | US | disclosed |