⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16544486 | 0.74 | — | — | |
| SCHEMBL7069432 | 0.74 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL16548121 | 0.72 | DRD3 (0.30) | — | |
| SCHEMBL28584959 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL11198457 | 0.70 | — | — | |
| SCHEMBL28306447 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL17593537 | 0.70 | — | — | |
| SCHEMBL9398110 | 0.69 | — | — | |
| SCHEMBL30816821 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL8973062 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1480600-A4 | METHOD AND COMPOSITION FOR DIMINISHING LOSS OF COLOR IN FLAVORS AND FRAGRANCES | CITRUS AND ALLIED ESSENCES LTD (US) | 2007-10-31 | — | — | EP | claimed |
| EP-1480600-A1 | METHOD AND COMPOSITION FOR DIMINISHING LOSS OF COLOR IN FLAVORS AND FRAGRANCES | Citrus and Allied Essences, Ltd. (US) | 2004-12-01 | — | — | EP | claimed |
| WO-2003066006-A1 | METHOD AND COMPOSITION FOR DIMINISHING LOSS OF COLOR IN FLAVORS AND FRAGRANCES | CITRUS AND ALLIED ESSENCES, LTD. (US) | 2003-08-14 | — | — | WO | claimed |