⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8655845 | 1.00 | — | — | |
| SCHEMBL207833 | 0.80 | — | — | |
| SCHEMBL6843536 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL4500203 | 0.70 | — | — | |
| SCHEMBL4500210 | 0.70 | — | — | |
| SCHEMBL25894 | 0.69 | — | — | |
| SCHEMBL18321043 | 0.68 | — | — | |
| SCHEMBL18321041 | 0.68 | — | — | |
| SCHEMBL160698 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL8652346 | 0.68 | — | — |
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-5814642-A | CHOLINESTERASE INHIBITORY COMPOSITION FOR TREATMENT OF SENILE DEMENTIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-29 | — | — | US | disclosed |