⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10739303 | 0.78 | KDM4E (0.43) | — | |
| SCHEMBL85842 | 0.76 | — | — | |
| SCHEMBL13978172 | 0.76 | — | — | |
| SCHEMBL26448806 | 0.74 | — | — | |
| SCHEMBL17188612 | 0.74 | — | — | |
| SCHEMBL7442539 | 0.74 | — | — | |
| SCHEMBL12824234 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL18869913 | 0.72 | — | — | |
| SCHEMBL29317264 | 0.72 | PAOX (0.40) | — | |
| SCHEMBL9029220 | 0.72 | CHRM1 (0.61) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0426714-B1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1996-04-03 | — | — | EP | disclosed |
| US-5100909-A | Cholinergic antagonists, analgesics, treatment of Alzheimer*s disease | THE UPJOHN COMPANY (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0426714-A1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1991-05-15 | — | — | EP | disclosed |
| WO-1990001026-A1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-02-08 | — | — | WO | disclosed |