⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15891843 | 0.90 | — | — | |
| SCHEMBL15597296 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL18430541 | 0.83 | — | — | |
| SCHEMBL18430462 | 0.82 | — | — | |
| SCHEMBL5531548 | 0.81 | — | — | |
| SCHEMBL5531537 | 0.78 | — | — | |
| SCHEMBL12936493 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL18430464 | 0.78 | KDR (0.33) | — | |
| SCHEMBL18430463 | 0.77 | — | — | |
| SCHEMBL18358037 | 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-9556337-B2 | Thiophene azo dyes and laundry care compositions containing the same | MILLIKEN & COMPANY (US) | 2017-01-31 | — | — | US | disclosed |