⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6358331 | 0.78 | MAOA (0.31) | — | |
| SCHEMBL5608608 | 0.62 | SLC6A2 (0.33) | — | |
| SCHEMBL28532101 | 0.61 | DRD1 (0.41) | — | |
| SCHEMBL20768163 | 0.59 | — | — | |
| SCHEMBL19037810 | 0.59 | — | — | |
| SCHEMBL31168517 | 0.58 | CYP3A4 (0.38) | — | |
| SCHEMBL2515265 | 0.58 | PDK2 (0.33) | — | |
| SCHEMBL2283117 | 0.56 | HDAC4 (0.34) | — | |
| SCHEMBL8039521 | 0.55 | PNMT (0.39) | — | |
| SCHEMBL27449113 | 0.55 | HDAC4 (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-110272453-A | Three tooth Phosphine ligands of thioxene skeleton, its synthetic method, the synthetic method and application of its copper complex and its copper complex | 湖北大学 | 2019-09-24 | — | — | CN | disclosed |