⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8568999 | 0.81 | — | — | |
| Dimethylcarbate SCHEMBL8571369 | 0.79 | HCAR3 (0.30) | — | |
| SCHEMBL50190 | 0.52 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6639005 | 0.51 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL6480110 | 0.51 | ALDH1A1 (0.41) | — | |
| SCHEMBL11289064 | 0.48 | MAPT (0.47) | — | |
| SCHEMBL15877128 | 0.48 | ALDH1A1 (0.43) | — | |
| SCHEMBL21814508 | 0.47 | ALDH1A1 (0.34) | — | |
| SCHEMBL10701880 | 0.47 | — | — | |
| SCHEMBL11221622 | 0.47 | — | — |
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-5821239-A | USEFUL FOR TREATING ALZHEIMER'S DISEASE CAUSED BY CHOLINERGIC DEFICIT | FROMMER LAWRENCE & HUAG LLP (US) | 1998-10-13 | — | — | US | claimed |