⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28892613 | 1.00 | — | — | |
| SCHEMBL28892511 | 0.82 | CTNNB1 (0.31) | — | |
| SCHEMBL30002686 | 0.82 | CTNNB1 (0.31) | — | |
| SCHEMBL28892534 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL30002318 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL1137474 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL1665386 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL30002009 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL28892390 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL1058222 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |