⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13480691 | 1.00 | — | — | |
| SCHEMBL3307320 | 0.81 | — | — | |
| SCHEMBL3307326 | 0.81 | — | — | |
| SCHEMBL4303635 | 0.81 | — | — | |
| SCHEMBL9633756 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL9633750 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL31141319 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL27211790 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL31141187 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL31141178 | 0.78 | TSHR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7655253-B2 | A synthetic pheromone composition comprising 11,13 hexadecadienal and 3,6,9,12,15 tricosapentaene; further comprising 3,6,9,12,15 pentacosapentaene,11,13 hexadecadien-1-ol, ethyl 11,13 hexadecadienoate, 13 hexadecenal, ethylpalmitate 11,13 hexadecadienyl acetate and hexadecyl acetate; insect pest trap | BEDOUKIAN RESEARCH, INC. (US) | 2010-02-02 | — | — | US | disclosed |