⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27494796 | 0.83 | — | — | |
| SCHEMBL27077155 | 0.80 | — | — | |
| SCHEMBL27927426 | 0.78 | — | — | |
| SCHEMBL364301 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL8744207 | 0.75 | HSD17B10 (0.38) | — | |
| SCHEMBL13179378 | 0.75 | HSD17B10 (0.38) | — | |
| SCHEMBL563836 | 0.75 | — | — | |
| SCHEMBL616305 | 0.75 | HSD17B10 (0.38) | — | |
| SCHEMBL8744210 | 0.75 | HSD17B10 (0.38) | — | |
| SCHEMBL11349386 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101611129-B | Benefit agent delivery compositions | PROCTER & GAMBLE | 2014-06-18 | — | — | CN | disclosed |
| CN-101617036-A | Benefit agent delivery compositions | PROCTER & GAMBLE | 2009-12-30 | — | — | CN | disclosed |
| CN-101611129-A | Benefit agent delivery compositions | PROCTER & GAMBLE (US) | 2009-12-23 | — | — | CN | disclosed |
| CN-100422300-C | Fabric care compositions containing cationic polysiloxanes and methods of use thereof | PROCTER & GAMBLE (US) | 2008-10-01 | — | — | CN | disclosed |
| CN-1668729-A | Fragrance composition | GIVAUDAN SA (CH) | 2005-09-14 | — | — | CN | disclosed |
| CN-1471570-A | Fabric care compositions containing cationic polysiloxanes and methods of use thereof | — | 2004-01-28 | — | — | CN | disclosed |
| WO-1998042656-A1 | NOVEL COMPOUNDS | CYTEL CORPORATION (US) | 1998-10-01 | — | — | WO | disclosed |