⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28896052 | 0.78 | PTPN1 (0.34) | — | |
| SCHEMBL28896260 | 0.75 | RIPK1 (0.35) | — | |
| SCHEMBL1679119 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL2154216 | 0.72 | GABRA1 (0.44) | — | |
| SCHEMBL30884226 | 0.72 | GABRA1 (0.44) | — | |
| SCHEMBL28896251 | 0.71 | — | — | |
| SCHEMBL12311874 | 0.69 | PTPN1 (0.35) | — | |
| SCHEMBL9068488 | 0.68 | CA2 (0.34) | — | |
| SCHEMBL6832124 | 0.68 | ALDH1A1 (0.54) | — | |
| SCHEMBL14560669 | 0.67 | CA2 (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-115246858-A | Phosphine-oxa bidentate ligand and its coordinated transition metal complex and use | 东莞市均成高新材料有限公司 | 2022-10-28 | — | — | CN | disclosed |