⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5690096 | 0.86 | — | — | |
| SCHEMBL27840791 | 0.76 | — | — | |
| SCHEMBL20843851 | 0.68 | — | — | |
| SCHEMBL14838587 | 0.68 | CHRM2 (0.39) | — | |
| SCHEMBL948809 | 0.66 | — | — | |
| SCHEMBL4623448 | 0.66 | — | — | |
| SCHEMBL27892900 | 0.66 | LMNA (0.30) | — | |
| SCHEMBL18562654 | 0.64 | POLB (0.34) | — | |
| SCHEMBL5690410 | 0.64 | TDP1 (0.33) | — | |
| SCHEMBL17541868 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002051883-A1 | SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS | AVENTIS PHARMA S.A. (FR) | 2002-07-04 | — | — | WO | disclosed |