⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6801407 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL6855483 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL31234309 | 0.71 | BACE1 (0.36) | — | |
| SCHEMBL31298395 | 0.71 | BACE1 (0.36) | — | |
| SCHEMBL6796414 | 0.71 | KCNA5 (0.30) | — | |
| SCHEMBL25417788 | 0.71 | BACE1 (0.36) | — | |
| SCHEMBL29246188 | 0.70 | GRIK1 (0.40) | — | |
| SCHEMBL29246187 | 0.70 | GRIK1 (0.40) | — | |
| SCHEMBL29838895 | 0.70 | GRIK1 (0.40) | — | |
| SCHEMBL28349985 | 0.70 | SRC (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6750344-B1 | MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2004-06-15 | — | — | US | disclosed |
| US-6316626-B1 | Amine compounds and combinatorial libraries comprising same | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |