⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1001134 | 0.96 | — | — | |
| Water SCHEMBL27868705 | 0.92 | — | — | |
| SCHEMBL7719600 | 0.72 | — | — | |
| SCHEMBL1894280 | 0.69 | — | — | |
| SCHEMBL7109 | 0.69 | — | — | |
| SCHEMBL3158253 | 0.67 | — | — | |
| SCHEMBL31122211 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL9746091 | 0.65 | — | — | |
| SCHEMBL6702738 | 0.65 | — | — | |
| SCHEMBL2966470 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106456473-B | Floral and green scent agent | 弗门尼舍有限公司 | 2020-04-03 | — | — | CN | disclosed |
| EP-3139898-B1 | FLORAL, GREEN ODORANT | FIRMENICH & CIE (CH) | 2018-06-13 | — | — | EP | disclosed |
| US-9758744-B2 | Floral, green odorant | FIRMENICH SA (CH) | 2017-09-12 | — | — | US | disclosed |
| US-20170145342-A1 | FLORAL, GREEN ODORANT | FIRMENICH SA (CH) | 2017-05-25 | — | — | US | disclosed |
| EP-3139898-A1 | FLORAL, GREEN ODORANT | Firmenich SA (CH) | 2017-03-15 | — | — | EP | disclosed |
| WO-2015169648-A1 | FLORAL, GREEN ODORANT | FIRMENICH SA (CH) | 2015-11-12 | — | — | WO | disclosed |