⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13409655 | 1.00 | — | — | |
| SCHEMBL13409648 | 1.00 | — | — | |
| SCHEMBL13409649 | 1.00 | — | — | |
| SCHEMBL13409668 | 1.00 | — | — | |
| SCHEMBL13409654 | 1.00 | — | — | |
| SCHEMBL1426540 | 0.72 | — | — | |
| SCHEMBL13409656 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL3928539 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL13409657 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL13409653 | 0.71 | ALDH1A1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7704941-B2 | Citral derivatives | FLEXITRAL, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-7704941-B2 | Citral derivatives | FLEXITRAL, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20080015136-A1 | CITRAL DERIVATIVES | FLEXITRAL, INC. (US) | 2008-01-17 | — | — | US | disclosed |
| US-20080015136-A1 | CITRAL DERIVATIVES | FLEXITRAL, INC. (US) | 2008-01-17 | — | — | US | disclosed |
| US-7309795-B2 | Citral derivatives | FLEXITRAL, INC. | 2007-12-18 | — | — | US | disclosed |
| US-7309795-B2 | Citral derivatives | FLEXITRAL, INC. | 2007-12-18 | — | — | US | disclosed |