⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31275333 | 0.81 | CBLB (0.35) | — | |
| SCHEMBL31459392 | 0.81 | CBLB (0.41) | — | |
| SCHEMBL25414185 | 0.76 | CBLB (0.33) | — | |
| SCHEMBL30184943 | 0.72 | CBLB (0.37) | — | |
| SCHEMBL31458897 | 0.72 | CBLB (0.39) | — | |
| SCHEMBL31459557 | 0.71 | CBLB (0.31) | — | |
| SCHEMBL31274881 | 0.70 | CBLB (0.35) | — | |
| SCHEMBL31549955 | 0.69 | CBLB (0.42) | — | |
| SCHEMBL31274922 | 0.68 | CBLB (0.47) | — | |
| SCHEMBL31459105 | 0.68 | S1PR2 (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 |
|---|---|---|---|---|---|---|---|
| WO-2025067227-A1 | PREPARATION METHOD FOR CBL-B REGULATOR, AND USE | 浙江华海药业股份有限公司 | 2025-04-03 | — | — | WO | disclosed |