⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2881591 | 0.74 | — | — | |
| SCHEMBL352063 | 0.56 | — | — | |
| Propane SCHEMBL11599155 | 0.56 | — | — | |
| SCHEMBL98977 | 0.56 | — | — | |
| SCHEMBL4232606 | 0.53 | — | — | |
| SCHEMBL1151227 | 0.53 | — | — | |
| Alcohol SCHEMBL2021651 | 0.53 | — | — | |
| Ethyl Chloride SCHEMBL11600160 | 0.53 | — | — | |
| SCHEMBL15228676 | 0.53 | — | — | |
| Ethyl Chloride SCHEMBL20021 | 0.52 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2961739-A2 | FURFURAL DERIVATIVES AS A VEHICLE | Rhodia Operations (FR) | 2016-01-06 | — | — | EP | disclosed |
| WO-2014132178-A2 | FURFURAL DERIVATIVES AS A VEHICLE | RHODIA OPERATIONS (FR) | 2014-09-04 | — | — | WO | disclosed |
| EP-2770827-A1 | COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME | Rhodia Operations (FR) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013053834-A1 | COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME | RHODIA OPERATIONS (FR) | 2013-04-18 | — | — | WO | disclosed |
| EP-2547199-A2 | NOVEL USES OF ESTERAMIDE COMPOUNDS | Rhodia Operations (FR) | 2013-01-23 | — | — | EP | disclosed |