⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26780117 | 0.83 | — | — | |
| SCHEMBL26780101 | 0.83 | — | — | |
| SCHEMBL89849 | 0.77 | — | — | |
| SCHEMBL90249 | 0.77 | — | — | |
| SCHEMBL19734818 | 0.76 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL23924583 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL21995016 | 0.75 | — | — | |
| SCHEMBL20901392 | 0.74 | — | — | |
| SCHEMBL16754685 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28780013 | 0.72 | — | — |
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-2486001-B1 | METHOD FOR PRODUCING 2,2-DIFLUOROETHYLAMINE BY HYDROGENATING 1,1-DIFLUORO-2-NITROETHANE | BAYER IP GMBH (DE) | 2017-03-08 | — | — | EP | disclosed |
| US-8754262-B2 | Process for preparing 2,2-difluoroethylamine by hydrogenating 1,1-difluoro-2-nitroethane | BAYER CROPSCIENCE AG (DE) | 2014-06-17 | — | — | US | disclosed |
| EP-2486001-A2 | METHOD FOR PRODUCING 2,2-DIFLUOROETHYLAMINE BY HYDROGENATING 1,1-DIFLUORO-2-NITROETHANE | Bayer CropScience AG (DE) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011042376-A2 | METHOD FOR PRODUCING 2,2-DIFLUOROETHYLAMINE BY HYDROGENATING 1,1-DIFLUORO-2-NITROETHANE | BAYER CROPSCIENCE AG (DE) | 2011-04-14 | — | — | WO | disclosed |
| US-20110082318-A1 | Process for Preparing 2,2-difluoroethylamine by Hydrogenating 1,1-difluoro-2-nitroethane | BAYER CROPSCIENCE AG (DE) | 2011-04-07 | — | — | US | disclosed |