⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127666 | 1.00 | — | — | |
| SCHEMBL21676970 | 0.81 | — | — | |
| SCHEMBL17189497 | 0.81 | — | — | |
| SCHEMBL12555028 | 0.78 | — | — | |
| SCHEMBL994559 | 0.77 | — | — | |
| SCHEMBL8080972 | 0.74 | — | — | |
| SCHEMBL11587168 | 0.73 | PAX8 (0.31) | — | |
| SCHEMBL8528219 | 0.73 | PAX8 (0.31) | — | |
| SCHEMBL11375580 | 0.73 | PAX8 (0.31) | — | |
| SCHEMBL30685396 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1093469-B1 | LINEAR CYCLODEXTRIN COPOLYMERS | CALIFORNIA INST OF TECHN (US) | 2007-05-02 | — | — | EP | disclosed |