⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11184951 | 0.75 | — | — | |
| SCHEMBL18368757 | 0.70 | — | — | |
| SCHEMBL24893385 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL22167664 | 0.68 | CES1 (0.33) | — | |
| SCHEMBL19874049 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL16512147 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL16550173 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL17811841 | 0.66 | — | — | |
| SCHEMBL10789764 | 0.66 | — | — | |
| SCHEMBL10789771 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |