⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12594296 | 0.87 | — | — | |
| SCHEMBL12594299 | 0.82 | — | — | |
| SCHEMBL1468966 | 0.79 | — | — | |
| SCHEMBL4345235 | 0.79 | — | — | |
| SCHEMBL12032350 | 0.77 | — | — | |
| SCHEMBL12032349 | 0.75 | — | — | |
| SCHEMBL4318070 | 0.75 | AXL (0.38) | — | |
| SCHEMBL12593922 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL306515 | 0.74 | ENPP3 (0.36) | — | |
| SCHEMBL29378331 | 0.74 | ENPP3 (0.36) | — |
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-109053742-A | New tricyclic compound | ABBVIE 公司 | 2018-12-21 | — | — | CN | disclosed |