⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8039917 | 0.77 | — | — | |
| SCHEMBL1705993 | 0.75 | — | — | |
| SCHEMBL7946925 | 0.70 | — | — | |
| SCHEMBL7771825 | 0.70 | — | — | |
| SCHEMBL308823 | 0.67 | — | — | |
| SCHEMBL8863 | 0.65 | NPSR1 (0.43) | — | |
| SCHEMBL7489758 | 0.65 | — | — | |
| SCHEMBL7487741 | 0.64 | — | — | |
| SCHEMBL4179197 | 0.62 | — | — | |
| SCHEMBL16593308 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751827-B2 | Method for alkylation of amines | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2017-09-05 | — | — | US | disclosed |
| US-20160009632-A1 | METHOD FOR ALKYLATION OF AMINES | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2016-01-14 | — | — | US | disclosed |
| EP-2966057-A1 | METHOD FOR ALKYLATION OF AMINES | Takasago International Corporation (JP) | 2016-01-13 | — | — | EP | disclosed |