⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22110657 | 0.83 | POLB (0.34) | — | |
| SCHEMBL22090988 | 0.82 | — | — | |
| SCHEMBL22110645 | 0.81 | SCD (0.35) | — | |
| SCHEMBL22090805 | 0.80 | SCD (0.30) | — | |
| SCHEMBL22110651 | 0.79 | PPARD (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL22091103 | 0.76 | PPARD (0.32) | — | |
| SCHEMBL22110597 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL22090917 | 0.74 | CYP1A2 (0.35) | — | |
| SCHEMBL22090803 | 0.73 | PPARD (0.42) | — | |
| SCHEMBL22110598 | 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 6 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-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 |
| 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 |