⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13757115 | 0.73 | RIPK1 (0.39) | — | |
| SCHEMBL29908494 | 0.72 | RIPK1 (0.39) | — | |
| SCHEMBL20568931 | 0.72 | — | — | |
| SCHEMBL20568928 | 0.72 | — | — | |
| SCHEMBL14421731 | 0.64 | CREBBP (0.39) | — | |
| SCHEMBL31189274 | 0.63 | PTPN11 (0.42) | — | |
| SCHEMBL21807422 | 0.63 | PTPN11 (0.42) | — | |
| SCHEMBL3587691 | 0.63 | — | — | |
| SCHEMBL9601583 | 0.61 | AR (0.35) | — | |
| SCHEMBL27642723 | 0.61 | CREBBP (0.39) | — |
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-115028649-A | Tricyclic compound, pharmaceutical composition containing same and use thereof | 四川科伦博泰生物医药股份有限公司 | 2022-09-09 | — | — | CN | disclosed |