⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3793036 | 0.66 | ACE (0.30) | — | |
| SCHEMBL22287110 | 0.63 | FFAR3 (0.33) | — | |
| SCHEMBL2004049 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL1083053 | 0.60 | GRM2 (0.31) | — | |
| SCHEMBL30077047 | 0.60 | USP2 (0.32) | — | |
| SCHEMBL27915638 | 0.59 | GRIN1 (0.32) | — | |
| SCHEMBL27915691 | 0.59 | GRIN1 (0.32) | — | |
| SCHEMBL27915646 | 0.59 | GRIN1 (0.32) | — | |
| SCHEMBL31282244 | 0.59 | — | — | |
| SCHEMBL10119 | 0.58 | DPP4 (0.33) | — |
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-113292536-A | Compound capable of degrading Bcr-Abl or PARP and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2021-08-24 | — | — | CN | disclosed |