⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23945925 | 0.83 | — | — | |
| SCHEMBL5327633 | 0.77 | — | — | |
| SCHEMBL25468983 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL24088216 | 0.72 | — | — | |
| SCHEMBL10050909 | 0.72 | LMNA (0.37) | — | |
| SCHEMBL24247973 | 0.70 | ALDH1A1 (0.38) | — | |
| Acrylamide SCHEMBL27858751 | 0.70 | ALDH1A1 (0.58) | — | |
| SCHEMBL1208262 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL23230296 | 0.70 | LMNA (0.35) | — | |
| Acrylamide SCHEMBL9304706 | 0.69 | ALDH1A1 (0.79) | — |
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-2021027503-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE AND USE THEREOF | 罗欣药业(上海)有限公司 | 2021-02-18 | — | — | WO | disclosed |