⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3063339 | 1.00 | — | — | |
| SCHEMBL3063335 | 1.00 | — | — | |
| SCHEMBL28631827 | 0.83 | GAA (0.53) | — | |
| SCHEMBL17577099 | 0.83 | GAA (0.53) | — | |
| SCHEMBL17621317 | 0.81 | LMNA (0.46) | — | |
| SCHEMBL2378467 | 0.81 | LMNA (0.46) | — | |
| SCHEMBL11971336 | 0.81 | LMNA (0.46) | — | |
| SCHEMBL15800186 | 0.78 | — | — | |
| SCHEMBL22719917 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL22719904 | 0.78 | ALDH1A1 (0.46) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11713308-B2 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | YUHAN CORPORATION (KR) | 2023-08-01 | — | — | US | disclosed |
| US-20230044255-A1 | 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2023-02-09 | — | — | US | disclosed |
| US-11168073-B2 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | YUHAN CORPORATION (KR) | 2021-11-09 | — | — | US | disclosed |
| EP-3894398-A1 | 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | Yuhan Corporation (KR) | 2021-10-20 | — | — | EP | disclosed |
| US-20200223827-A1 | 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2020-07-16 | — | — | US | disclosed |
| WO-2020121261-A1 | 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2020-06-18 | — | — | WO | disclosed |
| US-9663495-B2 | Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same | YUHAN CORPORATION (KR) | 2017-05-30 | — | — | US | disclosed |
| US-20160068515-A1 | NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2016-03-10 | — | — | US | disclosed |
| EP-2989093-A1 | NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Yuhan Corporation (KR) | 2016-03-02 | — | — | EP | disclosed |
| WO-2014175621-A1 | NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2014-10-30 | — | — | WO | disclosed |