⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30753305 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL14297525 | 0.79 | — | — | |
| SCHEMBL38662911 | 0.77 | GNAO1 (0.39) | — | |
| SCHEMBL31011814 | 0.76 | — | — | |
| SCHEMBL18781617 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL27051178 | 0.75 | ALPL (0.32) | — | |
| SCHEMBL22895050 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27086567 | 0.72 | — | — | |
| SCHEMBL21890586 | 0.71 | GNAI3 (0.30) | — | |
| SCHEMBL19159907 | 0.71 | GNAI3 (0.30) | — |
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-20230159446-A1 | Methods and Compositions for Targeting Tregs using CCR8 Inhibitors | NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) | 2023-05-25 | — | — | US | disclosed |