⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3319778 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL31564118 | 0.72 | — | — | |
| SCHEMBL4676507 | 0.67 | — | — | |
| SCHEMBL31563804 | 0.64 | — | — | |
| SCHEMBL10878614 | 0.63 | — | — | |
| SCHEMBL1903027 | 0.63 | — | — | |
| SCHEMBL207437 | 0.63 | — | — | |
| SCHEMBL3630049 | 0.58 | ALDH1A1 (0.30) | — | |
| Pyrrole SCHEMBL22412640 | 0.56 | — | — | |
| Pyrrole SCHEMBL7973127 | 0.56 | — | — |
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-117143115-A | Acceptor material based on phenazine center core, and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2023-12-01 | — | — | CN | disclosed |
| CN-117143115-A | Acceptor material based on phenazine center core, and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2023-12-01 | — | — | CN | disclosed |