⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5845965 | 0.86 | — | — | |
| SCHEMBL1004841 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL2749936 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL3396320 | 0.66 | — | — | |
| SCHEMBL11501561 | 0.63 | CYP3A4 (0.30) | — | |
| SCHEMBL9843033 | 0.60 | — | — | |
| SCHEMBL11751623 | 0.60 | — | — | |
| SCHEMBL5071322 | 0.59 | — | — | |
| SCHEMBL11956564 | 0.59 | — | — | |
| SCHEMBL1004982 | 0.58 | CYP3A4 (0.32) | — |
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-6806371-B2 | BY MEANS OF PHASE TRANSFER CATALYSIS | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2004-10-19 | — | — | US | disclosed |
| CN-1493561-A | Preparation of substituted pyridine N-oxide compound | DSM精细化学奥地利NFG两合公司 | 2004-05-05 | — | — | CN | disclosed |
| US-20040063957-A1 | Preparation of substituted pyridine N-oxide compounds | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2004-04-01 | — | — | US | disclosed |