⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4034677 | 0.64 | — | — | |
| SCHEMBL3389545 | 0.62 | NOS1 (0.46) | — | |
| SCHEMBL7416327 | 0.61 | ADORA2B (0.32) | — | |
| SCHEMBL4800293 | 0.60 | — | — | |
| SCHEMBL9833548 | 0.59 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL7447299 | 0.58 | — | — | |
| SCHEMBL5932046 | 0.58 | LDHA (0.31) | — | |
| SCHEMBL6237482 | 0.57 | — | — | |
| SCHEMBL103011 | 0.57 | ALDH1A1 (0.40) | — | |
| SCHEMBL7196817 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355646-A4 | MUSCARINIC RECEPTOR AGONISTS | UNIV TOLEDO (US) | 2004-06-16 | — | — | EP | disclosed |
| EP-1355646-A1 | MUSCARINIC RECEPTOR AGONISTS | UNIVERSITY OF TOLEDO (US) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002060444-A1 | MUSCARINIC RECEPTOR AGONISTS | UNIVERSITY OF TOLEDO, THE a University instrumentality of the State of Ohio (US) | 2002-08-08 | — | — | WO | disclosed |