⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473159 | 0.80 | MAOA (0.32) | — | |
| SCHEMBL1275382 | 0.79 | MAOA (0.31) | — | |
| SCHEMBL11569700 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL4797006 | 0.75 | PABPC1 (0.33) | — | |
| SCHEMBL2950392 | 0.75 | KDM4E (0.36) | — | |
| SCHEMBL3107258 | 0.73 | HSD17B1 (0.38) | — | |
| SCHEMBL29259188 | 0.73 | — | — | |
| SCHEMBL9091732 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL9984080 | 0.71 | — | — | |
| SCHEMBL29280125 | 0.71 | — | — |
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-116082591-A | Preparation method and application of three-dimensional covalent organic framework 3D COF material based on 8-communicated cubic ligand | 江苏科技大学 | 2023-05-09 | — | — | CN | disclosed |