⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28055078 | 0.96 | — | — | |
| SCHEMBL2692767 | 0.76 | — | — | |
| SCHEMBL27493528 | 0.66 | — | — | |
| SCHEMBL28341893 | 0.63 | — | — | |
| SCHEMBL15302 | 0.63 | — | — | |
| SCHEMBL325087 | 0.63 | TRPA1 (0.38) | — | |
| SCHEMBL432583 | 0.63 | — | — | |
| SCHEMBL26134 | 0.63 | — | — | |
| SCHEMBL10895362 | 0.63 | TRPA1 (0.38) | — | |
| SCHEMBL9145167 | 0.60 | TRPA1 (0.35) | — |
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-103804404-B | A kind of asymmetric multidentate aza cyclic metal complex and synthetic method thereof | SHANXI UNIVERISTY (CN) | 2016-02-10 | — | — | CN | disclosed |