⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27324349 | 0.73 | — | — | |
| SCHEMBL2090439 | 0.71 | — | — | |
| SCHEMBL21142641 | 0.69 | — | — | |
| SCHEMBL21145927 | 0.68 | — | — | |
| SCHEMBL25813854 | 0.67 | — | — | |
| SCHEMBL31029450 | 0.67 | — | — | |
| SCHEMBL2089866 | 0.67 | — | — | |
| SCHEMBL15395997 | 0.67 | — | — | |
| SCHEMBL21896888 | 0.67 | — | — | |
| SCHEMBL15429621 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101128435-A | Pyrazolone compounds as metabotropic glutamate receptor agonists for the treatment of neurological and psychiatric disorders | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |