⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL514639 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6426118 | 0.75 | — | — | |
| SCHEMBL31612401 | 0.75 | — | — | |
| SCHEMBL22802574 | 0.75 | — | — | |
| SCHEMBL9983847 | 0.75 | — | — | |
| SCHEMBL7939076 | 0.75 | — | — | |
| Water SCHEMBL9579956 | 0.75 | — | — | |
| SCHEMBL158323 | 0.71 | — | — | |
| SCHEMBL2087908 | 0.58 | — | — | |
| SCHEMBL7782020 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563770-A | Ortho-benzhydryl substituted nickel imine and palladium complex, preparation method and application | 合肥工业大学 | 2019-12-13 | — | — | CN | claimed |
| CN-110563770-A | Ortho-benzhydryl substituted nickel imine and palladium complex, preparation method and application | 合肥工业大学 | 2019-12-13 | — | — | CN | disclosed |
| WO-2011156921-A2 | CATALYST LIGANDS, CATALYTIC LIGAND COMPLEXES AND POLYMERIZATION PROCESSES USING SAME | LAVOIE GINO GEORGES (CA) | 2011-12-22 | — | — | WO | disclosed |