⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5780702 | 0.93 | AGTR1 (0.45) | — | |
| SCHEMBL5426654 | 0.80 | AGTR1 (0.48) | — | |
| SCHEMBL5417453 | 0.80 | — | — | |
| SCHEMBL5420494 | 0.76 | — | — | |
| SCHEMBL5422429 | 0.76 | AGTR1 (0.48) | — | |
| SCHEMBL5425898 | 0.72 | GPR4 (0.57) | — | |
| SCHEMBL5430154 | 0.69 | — | — | |
| SCHEMBL14409680 | 0.68 | — | — | |
| SCHEMBL4340113 | 0.67 | GPR4 (0.57) | — | |
| SCHEMBL4340114 | 0.67 | GPR4 (0.57) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1724271-A1 | PREVENTIVE AND/OR THERAPEUTIC AGENT FOR NEUTROPHILIC INFLAMMATION DISEASE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2006-11-22 | — | — | EP | disclosed |