⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3106992 | 0.76 | — | — | |
| SCHEMBL12538419 | 0.73 | — | — | |
| SCHEMBL28675896 | 0.70 | — | — | |
| SCHEMBL9413595 | 0.67 | — | — | |
| SCHEMBL8974884 | 0.65 | — | — | |
| SCHEMBL7255396 | 0.65 | — | — | |
| SCHEMBL12747307 | 0.64 | — | — | |
| SCHEMBL7650009 | 0.64 | GRIK1 (0.33) | — | |
| SCHEMBL28697890 | 0.61 | GRIK1 (0.32) | — | |
| SCHEMBL28408123 | 0.61 | GRIK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0543919-B1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES | SEARLE & CO (US) | 1996-04-10 | — | — | EP | claimed |