⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL23040795 | 0.80 | GRIK1 (0.39) | — | |
| SCHEMBL16660 | 0.79 | — | — | |
| SCHEMBL419451 | 0.79 | — | — | |
| SCHEMBL14078483 | 0.77 | — | — | |
| SCHEMBL228542 | 0.74 | — | — | |
| SCHEMBL444658 | 0.74 | — | — | |
| Ethylene SCHEMBL7184469 | 0.74 | GRIK1 (0.39) | — | |
| SCHEMBL7115099 | 0.74 | EP300 (0.48) | — | |
| Methacrylic Acid SCHEMBL8824600 | 0.74 | GRIK1 (0.35) | — | |
| Bicarbonate SCHEMBL9752391 | 0.73 | KDM4E (0.41) | — |
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-1357193-A1 | Preparation of pyrazines | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 2003-10-29 | — | — | EP | disclosed |