⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73001 | 0.67 | — | — | |
| SCHEMBL742490 | 0.67 | HCAR3 (0.41) | — | |
| SCHEMBL182584 | 0.67 | — | — | |
| SCHEMBL196791 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL8145333 | 0.64 | — | — | |
| SCHEMBL2067353 | 0.62 | — | — | |
| SCHEMBL533584 | 0.62 | — | — | |
| SCHEMBL182698 | 0.62 | — | — | |
| SCHEMBL533865 | 0.62 | — | — | |
| SCHEMBL1036554 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049466-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-22 | — | — | EP | claimed |
| WO-2008002817-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-03 | — | — | WO | claimed |
| EP-0979230-A1 | 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | Abbott Laboratories (US) | 2000-02-16 | — | — | EP | claimed |
| WO-1998046603-A1 | 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | claimed |