⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9203454 | 0.79 | — | — | |
| SCHEMBL6138233 | 0.57 | — | — | |
| SCHEMBL14087810 | 0.51 | — | — | |
| SCHEMBL12806323 | 0.50 | MEN1 (0.34) | — | |
| SCHEMBL4304595 | 0.49 | PTGS2 (0.42) | — | |
| SCHEMBL19117037 | 0.48 | CA12 (0.30) | — | |
| SCHEMBL13839056 | 0.48 | CA1 (0.35) | — | |
| 1,2-Dimethoxybenzene SCHEMBL23573009 | 0.48 | CA1 (0.77) | — | |
| Methoxymethane SCHEMBL27638371 | 0.48 | APOBEC3G (0.50) | — | |
| SCHEMBL16015900 | 0.47 | LTA4H (0.50) | — |
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 |