⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27841590 | 0.78 | — | — | |
| SCHEMBL11380270 | 0.77 | — | — | |
| SCHEMBL92017 | 0.75 | — | — | |
| SCHEMBL37152 | 0.75 | — | — | |
| SCHEMBL14394650 | 0.75 | — | — | |
| SCHEMBL57155 | 0.75 | — | — | |
| SCHEMBL4655174 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL4889381 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL20539711 | 0.75 | — | — | |
| SCHEMBL14303702 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896557-A1 | FLAVOR AND FRAGRANCE COMPOSITION | Takasago International Corporation (JP) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006137556-A1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-12-28 | — | — | WO | disclosed |