⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL626807 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL6261494 | 0.84 | — | — | |
| Ethane SCHEMBL11500293 | 0.82 | — | — | |
| Acrylamide SCHEMBL27949791 | 0.76 | ALDH1A1 (0.39) | — | |
| Phosphonic Acid SCHEMBL3173480 | 0.75 | PGK1 (0.32) | — | |
| SCHEMBL1004731 | 0.71 | LPAR2 (0.33) | — | |
| SCHEMBL30383 | 0.71 | — | — | |
| SCHEMBL30887 | 0.69 | — | — | |
| SCHEMBL8594327 | 0.69 | — | — | |
| SCHEMBL30384 | 0.69 | — | — |
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-103665047-A | Application of novel ligand compound in dye-sensitized solar cell | ZHANG YONG | 2014-03-26 | — | — | CN | claimed |
| CN-103665047-A | Application of novel ligand compound in dye-sensitized solar cell | ZHANG YONG | 2014-03-26 | — | — | CN | disclosed |