⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28025644 | 0.93 | — | — | |
| SCHEMBL28025107 | 0.92 | — | — | |
| SCHEMBL7259409 | 0.79 | — | — | |
| SCHEMBL4864404 | 0.76 | — | — | |
| SCHEMBL28025122 | 0.69 | MAOA (0.35) | — | |
| SCHEMBL16098658 | 0.67 | — | — | |
| SCHEMBL4954514 | 0.67 | — | — | |
| SCHEMBL20134621 | 0.67 | — | — | |
| SCHEMBL577440 | 0.66 | — | — | |
| SCHEMBL28025099 | 0.66 | MAOA (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-102956917-B | Triazole ionic liquid and its preparation method and application | Haiyangwang Lighting Technology Co., Ltd. (CN) | 2015-08-05 | — | — | CN | disclosed |