⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19728617 | 0.90 | — | — | |
| SCHEMBL19450560 | 0.86 | — | — | |
| SCHEMBL12319732 | 0.85 | — | — | |
| SCHEMBL18613075 | 0.84 | — | — | |
| SCHEMBL17246763 | 0.84 | — | — | |
| SCHEMBL21979531 | 0.81 | — | — | |
| SCHEMBL18868578 | 0.80 | — | — | |
| SCHEMBL21558321 | 0.80 | — | — | |
| SCHEMBL18723291 | 0.76 | — | — | |
| SCHEMBL23266928 | 0.76 | PSMB8 (0.32) | — |
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-20200046845-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. | 2020-02-13 | — | — | US | disclosed |