⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24697452 | 0.77 | HRH3 (0.32) | — | |
| SCHEMBL18390849 | 0.77 | CCR6 (0.33) | — | |
| SCHEMBL24196778 | 0.77 | — | — | |
| SCHEMBL18136207 | 0.75 | HRH3 (0.33) | — | |
| SCHEMBL24480416 | 0.71 | HRH3 (0.34) | — | |
| SCHEMBL24185469 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL18499178 | 0.71 | — | — | |
| SCHEMBL25695919 | 0.71 | OPRL1 (0.32) | — | |
| SCHEMBL22565052 | 0.69 | HRH3 (0.34) | — | |
| SCHEMBL24185424 | 0.69 | HRH3 (0.34) | — |
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-20230248833-A1 | COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR | XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2023-08-10 | — | — | US | disclosed |