⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28023546 | 0.82 | POLB (0.49) | — | |
| SCHEMBL351615 | 0.80 | — | — | |
| SCHEMBL10624628 | 0.80 | — | — | |
| SCHEMBL1189465 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8437714 | 0.78 | AKR1B1 (0.48) | — | |
| SCHEMBL11676414 | 0.78 | — | — | |
| SCHEMBL1786272 | 0.78 | — | — | |
| SCHEMBL31511499 | 0.78 | POLB (0.46) | — | |
| SCHEMBL2100538 | 0.78 | — | — | |
| SCHEMBL8075617 | 0.78 | — | — |
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-5637731-A | CHOLINERGIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |
| US-5550257-A | TREATING CENTRAL CHOLINERGIC DYSFUNCTION | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |