⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14321880 | 0.63 | — | — | |
| SCHEMBL22077249 | 0.56 | FFAR3 (0.31) | — | |
| SCHEMBL11762994 | 0.56 | AKR1C1 (0.39) | — | |
| Benzene SCHEMBL28049392 | 0.54 | CA1 (0.40) | — | |
| SCHEMBL10776105 | 0.53 | — | — | |
| SCHEMBL233908 | 0.52 | — | — | |
| SCHEMBL29245197 | 0.52 | — | — | |
| SCHEMBL31253444 | 0.51 | CA12 (0.61) | — | |
| SCHEMBL28016195 | 0.49 | — | — | |
| Ammonia Solution, Strong SCHEMBL31146935 | 0.49 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105400509-A | A method of generating fluorescence and phosphorescence through near ultraviolet and visible light absorption by organic compounds | UNIV QINZHOU | 2016-03-16 | — | — | CN | disclosed |