⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29137957 | 0.87 | ERN1 (0.36) | — | |
| SCHEMBL29137941 | 0.78 | GRM5 (0.33) | — | |
| SCHEMBL29137954 | 0.76 | SCN9A (0.35) | — | |
| SCHEMBL29137977 | 0.74 | PARP1 (0.39) | — | |
| SCHEMBL29137925 | 0.74 | MAPT (0.44) | — | |
| SCHEMBL29137930 | 0.70 | BACE1 (0.31) | — | |
| SCHEMBL29874564 | 0.68 | PDPK1 (0.35) | — | |
| SCHEMBL4073461 | 0.66 | PLAU (0.46) | — | |
| SCHEMBL30636265 | 0.66 | PLAU (0.46) | — | |
| SCHEMBL26933099 | 0.65 | PDPK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117062804-A | 1, 3-substituted cyclobutyl derivatives and their use | 诺华股份有限公司 | 2023-11-14 | — | — | CN | disclosed |