⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24403604 | 0.82 | TDP1 (0.34) | — | |
| SCHEMBL22013163 | 0.82 | TDP1 (0.36) | — | |
| SCHEMBL19546045 | 0.78 | TDP1 (0.42) | — | |
| SCHEMBL20445486 | 0.78 | TDP1 (0.39) | — | |
| SCHEMBL18879446 | 0.77 | — | — | |
| SCHEMBL19543081 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL23008435 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL20445403 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL15982284 | 0.74 | TDP1 (0.56) | — | |
| SCHEMBL23046982 | 0.74 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3374369-B1 | POLYETHYLENE GLYCOL-CONJUGATED GLUCOCORTICOID PRODRUGS AND COMPOSITIONS AND METHODS THEREOF | UNIV NEBRASKA (US) | 2020-03-18 | — | — | EP | disclosed |