⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1129505 | 0.81 | CYP2C19 (0.31) | — | |
| SCHEMBL17834118 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL313906 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL11905297 | 0.78 | TSHR (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL1358112 | 0.76 | CYP2C19 (0.31) | — | |
| SCHEMBL10021005 | 0.75 | — | — | |
| SCHEMBL261565 | 0.74 | — | — | |
| SCHEMBL25663580 | 0.74 | — | — | |
| SCHEMBL16885286 | 0.74 | SLC6A4 (0.30) | — | |
| SCHEMBL18798964 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1352948-A1 | Concentrated, stable, fabric softening composition | THE PROCTER & GAMBLE COMPANY (US) | 2003-10-15 | — | — | EP | disclosed |