⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21714 | 1.00 | — | — | |
| SCHEMBL21716 | 1.00 | — | — | |
| Acetic Acid SCHEMBL10488048 | 0.97 | FFAR3 (0.39) | — | |
| Methacrylic Acid SCHEMBL25317405 | 0.90 | GRIK1 (0.35) | — | |
| SCHEMBL8726425 | 0.85 | PTGS1 (0.37) | — | |
| SCHEMBL8726421 | 0.85 | PTGS1 (0.37) | — | |
| Diethylamine SCHEMBL11521851 | 0.82 | GRIK1 (0.35) | — | |
| SCHEMBL7709729 | 0.81 | GRIK1 (0.40) | — | |
| SCHEMBL7709740 | 0.81 | GRIK1 (0.40) | — | |
| SCHEMBL16245177 | 0.80 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2935180-B1 | SAGE ODORANT | FIRMENICH & CIE (CH) | 2016-09-21 | — | — | EP | disclosed |
| US-9284513-B2 | Sage odorant | FIRMENICH SA (CH) | 2016-03-15 | — | — | US | disclosed |
| US-20150337235-A1 | SAGE ODORANT | FIRMENICH SA (CH) | 2015-11-26 | — | — | US | disclosed |
| WO-2015169648-A1 | FLORAL, GREEN ODORANT | FIRMENICH SA (CH) | 2015-11-12 | — | — | WO | disclosed |
| EP-2935180-A1 | SAGE ODORANT | Firmenich SA (CH) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014095321-A1 | SAGE ODORANT | FIRMENICH SA (CH) | 2014-06-26 | — | — | WO | disclosed |
| US-20110190267-A1 | PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE PHARMACEUTICALS, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| US-20110190267-A1 | PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE PHARMACEUTICALS, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| EP-0838215-B1 | Use of unsaturated aliphatic esters in perfumery | FIRMENICH & CIE (CH) | 2004-04-28 | — | — | EP | disclosed |
| EP-0838215-A2 | Use of unsaturated aliphatic esters in perfumery | FIRMENICH SA (CH) | 1998-04-29 | — | — | EP | disclosed |