⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9353073 | 0.78 | — | — | |
| SCHEMBL1396743 | 0.76 | — | — | |
| SCHEMBL1396805 | 0.72 | — | — | |
| SCHEMBL20529715 | 0.72 | — | — | |
| SCHEMBL21955551 | 0.72 | — | — | |
| SCHEMBL1396683 | 0.70 | ELANE (0.31) | — | |
| SCHEMBL14655482 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL16568700 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL20011260 | 0.66 | — | — | |
| SCHEMBL898668 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7393822-B2 | Esters and their use in perfumery | GIVAUDAN SA (CH) | 2008-07-01 | — | — | US | disclosed |
| EP-1565426-B1 | ESTERS AND THEIR USE IN PERFUMERY | GIVAUDAN SA (CH) | 2006-10-25 | — | — | EP | disclosed |
| US-20060046955-A1 | Esters and their use in perfumery | GIVAUDAN SA (CH) | 2006-03-02 | — | — | US | disclosed |
| EP-1565426-A1 | ESTERS AND THEIR USE IN PERFUMERY | Givaudan SA (CH) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004050602-A1 | ESTERS AND THEIR USE IN PERFUMERY | GIVAUDAN SA (CH) | 2004-06-17 | — | — | WO | disclosed |
| US-4289659-A | CYCLOHEXANE DERIVATIVES | FIRMENICH SA (CH) | 1981-09-15 | — | — | US | disclosed |
| US-4264467-A | Cyclic C6 compounds and their use in perfumes | FIRMENICH SA (CH) | 1981-04-28 | — | — | US | disclosed |
| US-4147672-A | Cyclic C6 ketones in perfumes | FIRMENICH SA (CH) | 1979-04-03 | — | — | US | disclosed |