⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497857 | 0.97 | — | — | |
| SCHEMBL113275 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27321415 | 0.93 | — | — | |
| SCHEMBL28038143 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27537769 | 0.93 | — | — | |
| SCHEMBL28248373 | 0.90 | LMNA (0.48) | — | |
| (Z)-1,2-Diphenylethene SCHEMBL27541610 | 0.88 | MAOB (0.55) | — | |
| Toluene SCHEMBL28297152 | 0.83 | LMNA (0.58) | — | |
| SCHEMBL27581390 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL2606098 | 0.79 | ALDH1A1 (0.50) | — |
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-112940271-B | Phenyl diimide based zinc coordination polymer and preparation method and application thereof | 山西师范大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-112940271-A | Phenyl diimide based zinc coordination polymer and preparation method and application thereof | 山西师范大学 | 2021-06-11 | — | — | CN | disclosed |