⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17099928 | 0.84 | — | — | |
| SCHEMBL9618037 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL9617320 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL5132315 | 0.75 | — | — | |
| SCHEMBL3232663 | 0.74 | — | — | |
| SCHEMBL5789431 | 0.72 | — | — | |
| SCHEMBL2301033 | 0.71 | — | — | |
| SCHEMBL1142629 | 0.71 | — | — | |
| SCHEMBL3165913 | 0.71 | — | — | |
| SCHEMBL1986891 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029591-A1 | SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF | Bayer HealthCare AG (DE) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007140934-A1 | SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF | BAYER HEALTHCARE AG (DE) | 2007-12-13 | — | — | WO | disclosed |
| WO-2002068417-A3 | HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | SLASSI ABDELMALIK (CA) | 2002-11-14 | — | — | WO | disclosed |