⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28184584 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL28185233 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL9831133 | 0.75 | — | — | |
| SCHEMBL5300435 | 0.75 | — | — | |
| SCHEMBL1746604 | 0.74 | — | — | |
| SCHEMBL902338 | 0.70 | — | — | |
| SCHEMBL5934002 | 0.69 | ALDH1A1 (0.56) | — | |
| SCHEMBL6874962 | 0.67 | ADH1B (0.42) | — | |
| SCHEMBL28586934 | 0.67 | — | — | |
| SCHEMBL30502893 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011035900-A1 | NEW THIADIAZOLE DERIVATIVES | ALMIRALL, S.A. (ES) | 2011-03-31 | — | — | WO | disclosed |