⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27925209 | 0.81 | — | — | |
| SCHEMBL28172572 | 0.79 | — | — | |
| SCHEMBL28010206 | 0.78 | — | — | |
| SCHEMBL28310699 | 0.77 | — | — | |
| SCHEMBL27781723 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL22397288 | 0.67 | — | — | |
| SCHEMBL22397289 | 0.67 | — | — | |
| SCHEMBL2791131 | 0.67 | — | — | |
| SCHEMBL598117 | 0.67 | — | — | |
| SCHEMBL27673767 | 0.65 | ALDH1A1 (0.33) | — |
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-104558005-B | Method for microwave synthesis of second-order nonlinear optical chromophore with D-pi-A structure | 中国科学院理化技术研究所 | 2018-03-09 | — | — | CN | disclosed |