⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18688641 | 1.00 | — | — | |
| SCHEMBL1345595 | 0.77 | — | — | |
| SCHEMBL27438920 | 0.74 | — | — | |
| SCHEMBL12722490 | 0.72 | — | — | |
| SCHEMBL27511319 | 0.70 | — | — | |
| SCHEMBL24110536 | 0.67 | CHRNB2 (0.31) | — | |
| SCHEMBL12324056 | 0.67 | ADH1B (0.32) | — | |
| SCHEMBL23072561 | 0.65 | — | — | |
| SCHEMBL22137267 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL19604904 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8766012-B2 | Process for the preparation of 2,2-difluoroethylamine starting from prop-2-en-1-amine | BAYER CROPSCIENCE AG (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8766012-B2 | Process for the preparation of 2,2-difluoroethylamine starting from prop-2-en-1-amine | BAYER CROPSCIENCE AG (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8586756-B2 | Process for the preparation of 2,2-difluoroethylamine derivatives starting from N-(2,2-difluoroethyl)prop-2-en-1-amine | BAYER CROPSCIENCE AG (DE) | 2013-11-19 | — | — | US | disclosed |
| US-8586756-B2 | Process for the preparation of 2,2-difluoroethylamine derivatives starting from N-(2,2-difluoroethyl)prop-2-en-1-amine | BAYER CROPSCIENCE AG (DE) | 2013-11-19 | — | — | US | disclosed |
| US-20120142971-A1 | PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE STARTING FROM PROP-2-EN-1-AMINE | BAYER CROPSCIENCE AG (DE) | 2012-06-07 | — | — | US | disclosed |
| US-20120123130-A1 | PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE | BAYER CROPSCIENCE AG (DE) | 2012-05-17 | — | — | US | disclosed |