⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11999050 | 0.80 | — | — | |
| SCHEMBL14448972 | 0.80 | — | — | |
| SCHEMBL12247919 | 0.75 | EPHX2 (0.45) | — | |
| SCHEMBL27875087 | 0.75 | — | — | |
| SCHEMBL27285473 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL11795621 | 0.74 | — | — | |
| SCHEMBL24997849 | 0.74 | — | — | |
| SCHEMBL24727543 | 0.72 | GAA (0.34) | — | |
| SCHEMBL24998751 | 0.72 | — | — | |
| SCHEMBL2738379 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022000443-A1 | METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS | Nanjing Immunophage Biotech Co., Ltd. (CN) | 2022-01-06 | — | — | WO | disclosed |