⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6633090 | 0.81 | — | — | |
| SCHEMBL18301294 | 0.76 | — | — | |
| SCHEMBL224092 | 0.74 | HDAC8 (0.46) | — | |
| SCHEMBL9115818 | 0.73 | — | — | |
| SCHEMBL563347 | 0.73 | — | — | |
| SCHEMBL6570211 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL7450875 | 0.71 | HTT (0.44) | — | |
| SCHEMBL15808459 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL1728266 | 0.68 | — | — | |
| SCHEMBL35398 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728758-B1 | Dioxopyrrolo-pyrrole derivatives | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | EP | claimed |
| US-5686459-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-11 | — | — | US | claimed |
| EP-0728758-A1 | Dioxopyrrolo-pyrrole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-28 | — | — | EP | claimed |
| US-5532255-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | claimed |
| CN-114269755-A | 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one compounds as MAGL inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-0728758-B1 | Dioxopyrrolo-pyrrole derivatives | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | EP | disclosed |
| US-5686459-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-11 | — | — | US | disclosed |
| EP-0728758-A1 | Dioxopyrrolo-pyrrole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-28 | — | — | EP | disclosed |