⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23980647 | 0.59 | HTR2C (0.35) | — | |
| SCHEMBL24586416 | 0.57 | HTR2C (0.34) | — | |
| SCHEMBL11690968 | 0.53 | GABRA1 (0.43) | — | |
| SCHEMBL20871563 | 0.52 | MAPK14 (0.35) | — | |
| SCHEMBL10367732 | 0.52 | KDM4E (0.39) | — | |
| SCHEMBL6968338 | 0.52 | CYP3A4 (0.39) | — | |
| SCHEMBL16746097 | 0.52 | HSP90AA1 (0.31) | — | |
| SCHEMBL25166854 | 0.52 | HTT (0.35) | — | |
| SCHEMBL2084494 | 0.51 | ALDH1A1 (0.31) | — | |
| SCHEMBL14983822 | 0.51 | GABRA1 (0.46) | — |
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-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |