⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL230817 | 0.82 | — | — | |
| SCHEMBL96409 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL9732460 | 0.69 | — | — | |
| SCHEMBL31305894 | 0.69 | — | — | |
| SCHEMBL15133407 | 0.68 | MAPT (0.55) | — | |
| SCHEMBL96379 | 0.67 | — | — | |
| SCHEMBL27325443 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL96753 | 0.65 | — | — | |
| SCHEMBL28681624 | 0.65 | — | — | |
| SCHEMBL714011 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1062265-A1 | PRO-FRAGRANCE SILICONE POLYMER AND COMPOSITIONS THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-2000027197-A1 | A COMPOSITION CONTAINING AN INSECT REPELLENT ACTIVE BLEND | THE PROCTER & GAMBLE COMPANY (US) | 2000-05-18 | — | — | WO | disclosed |
| WO-1999046318-A1 | PRO-FRAGRANCE SILICONE POLYMER AND COMPOSITIONS THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 1999-09-16 | — | — | WO | disclosed |
| EP-0905115-A1 | Method for making acetal compounds | THE PROCTER & GAMBLE COMPANY (US) | 1999-03-31 | — | — | EP | disclosed |