⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL293751 | 0.74 | — | — | |
| SCHEMBL15637754 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL3432940 | 0.70 | — | — | |
| SCHEMBL1180081 | 0.70 | — | — | |
| SCHEMBL1180970 | 0.70 | — | — | |
| SCHEMBL2067034 | 0.70 | — | — | |
| SCHEMBL558368 | 0.70 | — | — | |
| SCHEMBL1856852 | 0.70 | — | — | |
| SCHEMBL3431780 | 0.70 | — | — | |
| SCHEMBL16703165 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106255688-B | Morpholine-pyridine derivate | 豪夫迈·罗氏有限公司 | 2019-11-08 | — | — | CN | disclosed |
| EP-1943241-A1 | PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION | Biolipox AB (SE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007051981-A1 | PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2007-05-10 | — | — | WO | disclosed |