⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4326673 | 0.77 | POLB (0.33) | — | |
| SCHEMBL5877945 | 0.77 | APEX1 (0.33) | — | |
| SCHEMBL868201 | 0.77 | — | — | |
| SCHEMBL2683914 | 0.74 | — | — | |
| SCHEMBL504171 | 0.74 | MGLL (0.34) | — | |
| SCHEMBL4786241 | 0.72 | APEX1 (0.31) | — | |
| SCHEMBL3236317 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL21333948 | 0.72 | PRKCA (0.33) | — | |
| SCHEMBL18725982 | 0.72 | — | — | |
| SCHEMBL4858440 | 0.72 | LMNA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1984726-A2 | METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION | Applera Corporation (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007087534-A2 | METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION | APPLERA CORPORATION (US) | 2007-08-02 | — | — | WO | disclosed |