⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6474099 | 1.00 | — | — | |
| SCHEMBL6474094 | 1.00 | — | — | |
| SCHEMBL6158610 | 0.74 | — | — | |
| SCHEMBL29155923 | 0.71 | — | — | |
| SCHEMBL4178934 | 0.71 | FKBP1A (0.32) | — | |
| SCHEMBL1353668 | 0.71 | FKBP1A (0.32) | — | |
| SCHEMBL2319321 | 0.68 | — | — | |
| SCHEMBL28380899 | 0.66 | — | — | |
| SCHEMBL14861543 | 0.66 | CA1 (0.39) | — | |
| SCHEMBL24406581 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050059716-A1 | Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2005-03-17 | — | — | US | disclosed |