⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1573637 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL9838541 | 0.72 | MAPK1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28575505 | 0.71 | MAPK1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7624938 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL7442843 | 0.67 | MAPK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28564693 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28566347 | 0.67 | — | — | |
| SCHEMBL22388041 | 0.61 | — | — | |
| SCHEMBL168288 | 0.61 | SIGMAR1 (0.38) | — | |
| SCHEMBL12557708 | 0.58 | HTT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090258858-A1 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-15 | — | — | US | disclosed |
| US-20090258858-A1 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-15 | — | — | US | disclosed |