⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11802610 | 0.73 | — | — | |
| SCHEMBL25477060 | 0.73 | — | — | |
| SCHEMBL14084429 | 0.69 | — | — | |
| SCHEMBL107986 | 0.66 | — | — | |
| SCHEMBL7806231 | 0.66 | — | — | |
| SCHEMBL1941986 | 0.64 | — | — | |
| SCHEMBL2623171 | 0.63 | ESR1 (0.37) | — | |
| SCHEMBL4164859 | 0.63 | — | — | |
| SCHEMBL231244 | 0.63 | — | — | |
| SCHEMBL1943309 | 0.63 | — | — |
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-20020010155-A1 | Novel process | SMITHKLINE BEECHAM P.L.C. | 2002-01-24 | — | — | US | disclosed |