⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3920447 | 0.79 | — | — | |
| SCHEMBL14612470 | 0.71 | — | — | |
| SCHEMBL1727045 | 0.70 | — | — | |
| SCHEMBL932186 | 0.67 | — | — | |
| SCHEMBL19489328 | 0.67 | — | — | |
| SCHEMBL15974866 | 0.65 | — | — | |
| SCHEMBL6994208 | 0.60 | — | — | |
| SCHEMBL3636714 | 0.60 | — | — | |
| SCHEMBL6993843 | 0.60 | — | — | |
| SCHEMBL6987699 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016201168-A1 | OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF | FORUM PHARMCEUTICALS INC. (US) | 2016-12-15 | — | — | WO | disclosed |
| EP-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| EP-1381363-A1 | IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-21 | — | — | EP | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | WO | disclosed |
| WO-2002092086-A1 | IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-11-21 | — | — | WO | disclosed |