⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL164800 | 1.00 | — | — | |
| SCHEMBL19862759 | 1.00 | — | — | |
| SCHEMBL21641518 | 1.00 | — | — | |
| SCHEMBL161194 | 1.00 | — | — | |
| SCHEMBL574756 | 1.00 | — | — | |
| SCHEMBL9271747 | 1.00 | — | — | |
| SCHEMBL594190 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31757671 | 0.97 | CYP1A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL31757860 | 0.97 | CYP1A2 (0.39) | — | |
| SCHEMBL723877 | 0.80 | CYP2D6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-3604505-A1 | NOVEL MONOOXYGENASE AND UTILIZATION THEREOF | Kaneka Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |
| US-20040127549-A1 | Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LIMITED (GB) | 2004-07-01 | — | — | US | disclosed |
| EP-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |