⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1500325 | 0.54 | GAA (0.30) | — | |
| SCHEMBL33554 | 0.46 | — | — | |
| Water SCHEMBL10406928 | 0.44 | — | — | |
| Fluoride SCHEMBL6419758 | 0.44 | — | — | |
| Water SCHEMBL9798116 | 0.44 | MAPT (0.50) | — | |
| SCHEMBL148004 | 0.43 | — | — | |
| Bromide SCHEMBL489995 | 0.34 | — | — | |
| SCHEMBL10066089 | 0.30 | — | — | |
| Methane SCHEMBL23044967 | 0.24 | — | — | |
| SCHEMBL8563918 | 0.24 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057801-B | 2-imine-1, 10-phenanthroline metal complex catalyst containing aromatic hydrocarbon substituent, preparation method and application | 北京服装学院 | 2024-02-09 | — | — | CN | disclosed |
| CN-114057801-A | 2-imine-1, 10-phenanthroline metal complex catalyst containing aromatic hydrocarbon substituent, preparation method and application | 北京服装学院 | 2022-02-18 | — | — | CN | disclosed |