⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8577325 | 1.00 | — | — | |
| SCHEMBL5907190 | 0.81 | — | — | |
| SCHEMBL5907191 | 0.81 | — | — | |
| SCHEMBL5907194 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL5799147 | 0.64 | TSHR (0.34) | — | |
| SCHEMBL8616459 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL19386792 | 0.61 | GAPDH (0.32) | — | |
| SCHEMBL16074687 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL9954518 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL7591047 | 0.60 | — | — |
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-1998017750-A1 | CONCENTRATED, FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-04-30 | — | — | WO | disclosed |