⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9211278 | 0.79 | — | — | |
| SCHEMBL5045911 | 0.79 | — | — | |
| SCHEMBL17923692 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL9208086 | 0.78 | — | — | |
| SCHEMBL9207508 | 0.75 | — | — | |
| SCHEMBL9206851 | 0.75 | — | — | |
| SCHEMBL5850276 | 0.73 | — | — | |
| SCHEMBL6682019 | 0.72 | CASP3 (0.30) | — | |
| SCHEMBL9211774 | 0.71 | VDR (0.37) | — | |
| SCHEMBL5848486 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0506373-B1 | Cyanoketone derivative and herbicide containing it as an active component | TOKUYAMA CORP (JP) | 1995-11-29 | — | — | EP | disclosed |
| EP-0319073-B1 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME (GB) | 1995-08-23 | — | — | EP | disclosed |
| EP-0506373-A2 | Cyanoketone derivative and herbicide containing it as an active component | TOKUYAMA CORPORATION (JP) | 1992-09-30 | — | — | 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 |