⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5993220 | 1.00 | — | — | |
| SCHEMBL5993214 | 1.00 | — | — | |
| SCHEMBL5991808 | 0.71 | — | — | |
| SCHEMBL31158574 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL34460862 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL762030 | 0.67 | — | — | |
| SCHEMBL11197627 | 0.65 | — | — | |
| SCHEMBL6591487 | 0.65 | — | — | |
| SCHEMBL10951028 | 0.63 | NOS3 (0.34) | — | |
| SCHEMBL11742513 | 0.62 | NOS3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060154922-A1 | Muscarinic agonists | ELILILLY AND COMPANY (US) | 2006-07-13 | — | — | US | disclosed |