⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25905106 | 0.77 | — | — | |
| SCHEMBL31522374 | 0.72 | — | — | |
| SCHEMBL19017169 | 0.72 | — | — | |
| SCHEMBL23881943 | 0.71 | ALDH1A1 (0.35) | — | |
| Water SCHEMBL27697076 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL27493954 | 0.68 | — | — | |
| SCHEMBL27738029 | 0.68 | — | — | |
| Water SCHEMBL27908069 | 0.68 | — | — | |
| SCHEMBL27895016 | 0.68 | — | — | |
| Phosphine SCHEMBL27604167 | 0.68 | — | — |
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-4139296-A1 | COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR | Opna Immuno Oncology, SA (CH) | 2023-03-01 | — | — | EP | disclosed |
| WO-2021216898-A1 | COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2021-10-28 | — | — | WO | disclosed |