⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24718815 | 0.98 | — | — | |
| SCHEMBL523027 | 0.98 | — | — | |
| SCHEMBL523028 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL30111345 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1700412 | 0.95 | — | — | |
| Cadaverine Tartrate SCHEMBL9456630 | 0.82 | GBA1 (0.34) | — | |
| SCHEMBL22574702 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL16992674 | 0.78 | SYK (0.31) | — | |
| SCHEMBL30497308 | 0.77 | — | — | |
| SCHEMBL2032083 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732561-A1 | COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005074939-A1 | COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2005-08-18 | — | — | WO | disclosed |