⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9208222 | 0.81 | — | — | |
| SCHEMBL9205274 | 0.59 | — | — | |
| SCHEMBL30626777 | 0.58 | — | — | |
| SCHEMBL28006187 | 0.58 | — | — | |
| SCHEMBL21811663 | 0.58 | ESR1 (0.32) | — | |
| SCHEMBL14740500 | 0.56 | — | — | |
| SCHEMBL28287829 | 0.56 | CYP2D6 (0.36) | — | |
| SCHEMBL3213007 | 0.55 | PDCD1 (0.42) | — | |
| SCHEMBL8470302 | 0.55 | — | — | |
| Propane SCHEMBL28213299 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0319073-B1 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME (GB) | 1995-08-23 | — | — | EP | disclosed |
| US-4927819-A | ANTICONVULSANT, PREVENTION OF NEURODEGENERATIVE DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1990-05-22 | — | — | US | disclosed |
| EP-0319073-A2 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME LTD. (GB) | 1989-06-07 | — | — | EP | disclosed |