⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10200205 | 0.79 | — | — | |
| SCHEMBL10917878 | 0.76 | — | — | |
| SCHEMBL24115125 | 0.69 | — | — | |
| SCHEMBL22182910 | 0.69 | — | — | |
| SCHEMBL13873968 | 0.67 | — | — | |
| SCHEMBL22198595 | 0.67 | — | — | |
| SCHEMBL7109897 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL3080474 | 0.59 | NOS3 (0.40) | — | |
| SCHEMBL268252 | 0.59 | — | — | |
| SCHEMBL18557045 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786248-B1 | Use of S,S'-ehtylidene diacetate as perfuming and flavouring ingredient | FIRMENICH & CIE (CH) | 2003-10-15 | — | — | EP | claimed |
| US-5871721-A | PRODUCT FOR FOODS | FIRMENICH SA (CH) | 1999-02-16 | — | — | US | claimed |
| JP-9208987-A | — | — | None | — | — | JP | disclosed |
| US-5871721-A | PRODUCT FOR FOODS | FIRMENICH SA (CH) | 1999-02-16 | — | — | US | disclosed |
| US-5871721-A | PRODUCT FOR FOODS | FIRMENICH SA (CH) | 1999-02-16 | — | — | US | disclosed |
| US-5871721-A | PRODUCT FOR FOODS | FIRMENICH SA (CH) | 1999-02-16 | — | — | US | disclosed |
| JP-H09208987-A | PERFUME COMPOSITION, PERFUME-ADDED PRODUCT, FLAVOR COMPOSITION, FLAVOR-IMPARTED PRODUCT, AND IMPARTATION OR ENRICHMENT OF FRUITY FLAVOR | FIRMENICH SA | 1997-08-12 | — | — | JP | disclosed |